N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide

C79H144N12O8 — CID 158364392

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide
SMILESCC(C)C(=O)NC(Cc1ccccc1)CN1CCCC1.CC(C)C(=O)NCCCN1C(C)CCCC1C.CC(C)C(=O)NCCCN1CCOCC1.CC(C)C(=O)NCCN(C)C1CCOCC1.CC(C)C(=O)NCCN(C)c1ccccc1.CC(C)C(=O)NCCN1CCCCC1C
InChIInChI=1S/C17H26N2O.C14H28N2O.C13H20N2O.C12H24N2O2.C12H24N2O.C11H22N2O2/c1-14(2)17(20)18-16(13-19-10-6-7-11-19)12-15-8-4-3-5-9-15;1-11(2)14(17)15-9-6-10-16-12(3)7-5-8-13(16)4;1-11(2)13(16)14-9-10-15(3)12-7-5-4-6-8-12;1-10(2)12(15)13-6-7-14(3)11-4-8-16-9-5-11;1-10(2)12(15)13-7-9-14-8-5-4-6-11(14)3;1-10(2)11(14)12-4-3-5-13-6-8-15-9-7-13/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,18,20);11-13H,5-10H2,1-4H3,(H,15,17);4-8,11H,9-10H2,1-3H3,(H,14,16);10-11H,4-9H2,1-3H3,(H,13,15);10-11H,4-9H2,1-3H3,(H,13,15);10H,3-9H2,1-2H3,(H,12,14)
InChIKeyGTVSPRUSDGERHN-UHFFFAOYSA-N
MW1390.10 g/mol
LogP9.76
Rot. Bonds30

About N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide (PubChem CID 158364392) has the molecular formula C79H144N12O8 and a molecular weight of 1390.10 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide
PubChem CID158364392
Molecular FormulaC79H144N12O8
Molecular Weight1390.10 g/mol
Exact Mass1389.12
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide
SMILESCC(C)C(=O)NC(Cc1ccccc1)CN1CCCC1.CC(C)C(=O)NCCCN1C(C)CCCC1C.CC(C)C(=O)NCCCN1CCOCC1.CC(C)C(=O)NCCN(C)C1CCOCC1.CC(C)C(=O)NCCN(C)c1ccccc1.CC(C)C(=O)NCCN1CCCCC1C
InChIInChI=1S/C17H26N2O.C14H28N2O.C13H20N2O.C12H24N2O2.C12H24N2O.C11H22N2O2/c1-14(2)17(20)18-16(13-19-10-6-7-11-19)12-15-8-4-3-5-9-15;1-11(2)14(17)15-9-6-10-16-12(3)7-5-8-13(16)4;1-11(2)13(16)14-9-10-15(3)12-7-5-4-6-8-12;1-10(2)12(15)13-6-7-14(3)11-4-8-16-9-5-11;1-10(2)12(15)13-7-9-14-8-5-4-6-11(14)3;1-10(2)11(14)12-4-3-5-13-6-8-15-9-7-13/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,18,20);11-13H,5-10H2,1-4H3,(H,15,17);4-8,11H,9-10H2,1-3H3,(H,14,16);10-11H,4-9H2,1-3H3,(H,13,15);10-11H,4-9H2,1-3H3,(H,13,15);10H,3-9H2,1-2H3,(H,12,14)
InChIKeyGTVSPRUSDGERHN-UHFFFAOYSA-N
XLogP9.76
TPSA212.50 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001390.10
LogP ≤ 59.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide (CID 158364392) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide is CC(C)C(=O)NC(Cc1ccccc1)CN1CCCC1.CC(C)C(=O)NCCCN1C(C)CCCC1C.CC(C)C(=O)NCCCN1CCOCC1.CC(C)C(=O)NCCN(C)C1CCOCC1.CC(C)C(=O)NCCN(C)c1ccccc1.CC(C)C(=O)NCCN1CCCCC1C.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide?
The InChIKey is GTVSPRUSDGERHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.C14H28N2O.C13H20N2O.C12H24N2O2.C12H24N2O.C11H22N2O2/c1-14(2)17(20)18-16(13-19-10-6-7-11-19)12-15-8-4-3-5-9-15;1-11(2)14(17)15-9-6-10-16-12(3)7-5-8-13(16)4;1-11(2)13(16)14-9-10-15(3)12-7-5-4-6-8-12;1-10(2)12(15)13-6-7-14(3)11-4-8-16-9-5-11;1-10(2)12(15)13-7-9-14-8-5-4-6-11(14)3;1-10(2)11(14)12-4-3-5-13-6-8-15-9-7-13/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H,18,20);11-13H,5-10H2,1-4H3,(H,15,17);4-8,11H,9-10H2,1-3H3,(H,14,16);10-11H,4-9H2,1-3H3,(H,13,15);10-11H,4-9H2,1-3H3,(H,13,15);10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide has a molecular weight of 1390.10 g/mol, XLogP of 9.76, 30 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-methylpropanamide;2-methyl-N-[2-(N-methylanilino)ethyl]propanamide;2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide;2-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide;2-methyl-N-(3-morpholin-4-ylpropyl)propanamide;2-methyl-N-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 158364392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).