2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide

C27H40N4O3 — CID 20971114

IUPAC2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC(C(C)C(=O)NCCCN4CCCCC4C)CC3)[nH]c2c1
InChIInChI=1S/C27H40N4O3/c1-19-7-4-5-13-30(19)14-6-12-28-26(32)20(2)21-10-15-31(16-11-21)27(33)25-17-22-8-9-23(34-3)18-24(22)29-25/h8-9,17-21,29H,4-7,10-16H2,1-3H3,(H,28,32)
InChIKeyMTMURUGASJLJGV-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.05
Rot. Bonds8

About 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide

2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 20971114) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
PubChem CID20971114
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC Name2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC(C(C)C(=O)NCCCN4CCCCC4C)CC3)[nH]c2c1
InChIInChI=1S/C27H40N4O3/c1-19-7-4-5-13-30(19)14-6-12-28-26(32)20(2)21-10-15-31(16-11-21)27(33)25-17-22-8-9-23(34-3)18-24(22)29-25/h8-9,17-21,29H,4-7,10-16H2,1-3H3,(H,28,32)
InChIKeyMTMURUGASJLJGV-UHFFFAOYSA-N
XLogP4.05
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 92503749
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92503758
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92765247
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 92503700
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503701
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 93061049
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 92503706
(2R)-N-cyclohexyl-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503737
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide
CID 93061052
(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503741
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895153
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92503728

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide (CID 20971114) is 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide is COc1ccc2cc(C(=O)N3CCC(C(C)C(=O)NCCCN4CCCCC4C)CC3)[nH]c2c1.
What is the InChIKey of 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is MTMURUGASJLJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O3/c1-19-7-4-5-13-30(19)14-6-12-28-26(32)20(2)21-10-15-31(16-11-21)27(33)25-17-22-8-9-23(34-3)18-24(22)29-25/h8-9,17-21,29H,4-7,10-16H2,1-3H3,(H,28,32).
What are the key properties of 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 468.64 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 20971114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).