N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide

C139H174N18O11 — CID 159500193

About N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide

N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide (PubChem CID 159500193) has the molecular formula C139H174N18O11 and a molecular weight of 2273.04 g/mol. Its IUPAC name is N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide
• PubChem CID: 159500193
• Molecular Formula: C139H174N18O11
• Molecular Weight: 2273.04 g/mol
• Exact Mass: 2271.36
• IUPAC Name: N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide
• SMILES: C#Cc1cnc(C(=O)Cc2ccc(C3(C(=O)O)CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCOCC4)CCCC3)cc2C2=CCC(C)(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCOCC4)CCCC3)cc2C2=CCC(C)(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCN(C)C)CCC3)cc2N2CCC(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCN(C)C)CCC3)cc2N2CCC(C)CC2)=N1
• InChI: InChI=1S/C30H37N3O2.C29H36N4O2.C27H36N4O2.C27H30N2O3.C26H35N5O2/c1-29(2)14-10-22(11-15-29)26-21-24(30(12-4-5-13-30)33-16-18-35-19-17-33)7-9-27(26)32-28(34)23-6-8-25(20-23)31-3;1-28(2)14-10-21(11-15-28)23-20-22(29(12-4-5-13-29)33-16-18-35-19-17-33)6-7-24(23)32-27(34)25-8-9-26(30-3)31-25;1-20-10-14-31(15-11-20)25-19-22(27(12-5-13-27)33-17-16-30(3)4)7-9-24(25)29-26(32)21-6-8-23(18-21)28-2;1-4-21-17-28-24(29-21)23(30)15-19-7-8-20(27(25(31)32)11-5-6-12-27)16-22(19)18-9-13-26(2,3)14-10-18;1-19-10-14-31(15-11-19)23-18-20(26(12-5-13-26)33-17-16-30(3)4)6-7-21(23)29-25(32)22-8-9-24(27-2)28-22/h7-10,20-21H,4-6,11-19H2,1-2H3,(H,32,34);6-7,9-10,20H,4-5,8,11-19H2,1-2H3,(H,32,34);7-9,18-20H,5-6,10-17H2,1,3-4H3,(H,29,32);1,7-9,16-17H,5-6,10-15H2,2-3H3,(H,28,29)(H,31,32);6-7,9,18-19H,5,8,10-17H2,1,3-4H3,(H,29,32)
• InChIKey: LZHBTLZWEWKIBP-UHFFFAOYSA-N
• XLogP: 27.06
• TPSA: 297.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 32
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2273.04
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide?

The IUPAC name of N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide (CID 159500193) is N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide?

The canonical SMILES for N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide is C#Cc1cnc(C(=O)Cc2ccc(C3(C(=O)O)CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCOCC4)CCCC3)cc2C2=CCC(C)(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(N4CCOCC4)CCCC3)cc2C2=CCC(C)(C)CC2)=N1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCN(C)C)CCC3)cc2N2CCC(C)CC2)=C1.[C-]#[N+]C1=CCC(C(=O)Nc2ccc(C3(OCCN(C)C)CCC3)cc2N2CCC(C)CC2)=N1.

What is the InChIKey of N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide?

The InChIKey is LZHBTLZWEWKIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2.C29H36N4O2.C27H36N4O2.C27H30N2O3.C26H35N5O2/c1-29(2)14-10-22(11-15-29)26-21-24(30(12-4-5-13-30)33-16-18-35-19-17-33)7-9-27(26)32-28(34)23-6-8-25(20-23)31-3;1-28(2)14-10-21(11-15-28)23-20-22(29(12-4-5-13-29)33-16-18-35-19-17-33)6-7-24(23)32-27(34)25-8-9-26(30-3)31-25;1-20-10-14-31(15-11-20)25-19-22(27(12-5-13-27)33-17-16-30(3)4)7-9-24(25)29-26(32)21-6-8-23(18-21)28-2;1-4-21-17-28-24(29-21)23(30)15-19-7-8-20(27(25(31)32)11-5-6-12-27)16-22(19)18-9-13-26(2,3)14-10-18;1-19-10-14-31(15-11-19)23-18-20(26(12-5-13-26)33-17-16-30(3)4)6-7-21(23)29-25(32)22-8-9-24(27-2)28-22/h7-10,20-21H,4-6,11-19H2,1-2H3,(H,32,34);6-7,9-10,20H,4-5,8,11-19H2,1-2H3,(H,32,34);7-9,18-20H,5-6,10-17H2,1,3-4H3,(H,29,32);1,7-9,16-17H,5-6,10-15H2,2-3H3,(H,28,29)(H,31,32);6-7,9,18-19H,5,8,10-17H2,1,3-4H3,(H,29,32).

What are the key properties of N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide?

N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide has a molecular weight of 2273.04 g/mol, XLogP of 27.06, 32 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[4-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-3-isocyanocyclopenta-1,3-diene-1-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-morpholin-4-ylcyclopentyl)phenyl]-5-isocyano-3H-pyrrole-2-carboxamide is sourced from PubChem (CID 159500193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).