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

C26H38N4O3 — CID 92503749

IUPAC(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCCN4CCCCC4)CC3)[nH]c2c1
InChIInChI=1S/C26H38N4O3/c1-19(25(31)27-11-6-14-29-12-4-3-5-13-29)20-9-15-30(16-10-20)26(32)24-17-21-7-8-22(33-2)18-23(21)28-24/h7-8,17-20,28H,3-6,9-16H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyHZESFLAIXMPLPQ-LJQANCHMSA-N
MW454.62 g/mol
LogP3.66
Rot. Bonds8

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

(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide (PubChem CID 92503749) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
PubChem CID92503749
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC Name(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCCN4CCCCC4)CC3)[nH]c2c1
InChIInChI=1S/C26H38N4O3/c1-19(25(31)27-11-6-14-29-12-4-3-5-13-29)20-9-15-30(16-10-20)26(32)24-17-21-7-8-22(33-2)18-23(21)28-24/h7-8,17-20,28H,3-6,9-16H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyHZESFLAIXMPLPQ-LJQANCHMSA-N
XLogP3.66
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 53.66
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

(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-(3-morpholin-4-ylpropyl)propanamide
CID 92503701
2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 20971114
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 92503700
(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
(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 94089259
(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503660
(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 (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide (CID 92503749) is (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide is COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCCN4CCCCC4)CC3)[nH]c2c1.
What is the InChIKey of (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide?
The InChIKey is HZESFLAIXMPLPQ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-19(25(31)27-11-6-14-29-12-4-3-5-13-29)20-9-15-30(16-10-20)26(32)24-17-21-7-8-22(33-2)18-23(21)28-24/h7-8,17-20,28H,3-6,9-16H2,1-2H3,(H,27,31)/t19-/m1/s1.
What are the key properties of (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide?
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide has a molecular weight of 454.62 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 92503749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).