N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C92H110Cl3F3I2N20O5 — CID 159764199

About N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 159764199) has the molecular formula C92H110Cl3F3I2N20O5 and a molecular weight of 1993.19 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
• PubChem CID: 159764199
• Molecular Formula: C92H110Cl3F3I2N20O5
• Molecular Weight: 1993.19 g/mol
• Exact Mass: 1990.61
• IUPAC Name: N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
• SMILES: C=C(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CC(C)(C)C1CCC(NC(=O)N2CCN(c3ncccc3Cl)CC2)CC1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3I)CC2)cc1.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.O=C(Nc1ccc(I)cc1)N1CCN(c2ncccc2Cl)CC1
• InChI: InChI=1S/C20H31ClN4O.C19H21ClN4O.C19H23IN4O.C18H19F3N4O.C16H16ClIN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18;2*1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18;1-13-3-2-8-22-16(13)24-9-11-25(12-10-24)17(26)23-15-6-4-14(5-7-15)18(19,20)21;17-14-2-1-7-19-15(14)21-8-10-22(11-9-21)16(23)20-13-5-3-12(18)4-6-13/h4-5,10,15-16H,6-9,11-14H2,1-3H3,(H,23,26);3-9H,1,10-13H2,2H3,(H,22,25);3-9,14H,10-13H2,1-2H3,(H,22,25);2-8H,9-12H2,1H3,(H,23,26);1-7H,8-11H2,(H,20,23)
• InChIKey: NFHBUPDKUNZBDF-UHFFFAOYSA-N
• XLogP: 19.91
• TPSA: 242.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1993.19
LogP ≤ 5	19.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

The IUPAC name of N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 159764199) is N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

The canonical SMILES for N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is C=C(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CC(C)(C)C1CCC(NC(=O)N2CCN(c3ncccc3Cl)CC2)CC1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3I)CC2)cc1.Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.O=C(Nc1ccc(I)cc1)N1CCN(c2ncccc2Cl)CC1.

What is the InChIKey of N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

The InChIKey is NFHBUPDKUNZBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O.C19H21ClN4O.C19H23IN4O.C18H19F3N4O.C16H16ClIN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18;2*1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18;1-13-3-2-8-22-16(13)24-9-11-25(12-10-24)17(26)23-15-6-4-14(5-7-15)18(19,20)21;17-14-2-1-7-19-15(14)21-8-10-22(11-9-21)16(23)20-13-5-3-12(18)4-6-13/h4-5,10,15-16H,6-9,11-14H2,1-3H3,(H,23,26);3-9H,1,10-13H2,2H3,(H,22,25);3-9,14H,10-13H2,1-2H3,(H,22,25);2-8H,9-12H2,1H3,(H,23,26);1-7H,8-11H2,(H,20,23).

What are the key properties of N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?

N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 1993.19 g/mol, XLogP of 19.91, 12 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-prop-1-en-2-ylphenyl)piperazine-1-carboxamide;4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 159764199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).