(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide

C28H35N3O3 — CID 92503728

IUPAC(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)N[C@@H](C)CCc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C28H35N3O3/c1-19(9-10-21-7-5-4-6-8-21)29-27(32)20(2)22-13-15-31(16-14-22)28(33)26-17-23-11-12-24(34-3)18-25(23)30-26/h4-8,11-12,17-20,22,30H,9-10,13-16H2,1-3H3,(H,29,32)/t19-,20-/m0/s1
InChIKeyKHKHDFRLBMPQMV-PMACEKPBSA-N
MW461.61 g/mol
LogP4.80
Rot. Bonds8

About (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide

(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide (PubChem CID 92503728) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
PubChem CID92503728
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)N[C@@H](C)CCc4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C28H35N3O3/c1-19(9-10-21-7-5-4-6-8-21)29-27(32)20(2)22-13-15-31(16-14-22)28(33)26-17-23-11-12-24(34-3)18-25(23)30-26/h4-8,11-12,17-20,22,30H,9-10,13-16H2,1-3H3,(H,29,32)/t19-,20-/m0/s1
InChIKeyKHKHDFRLBMPQMV-PMACEKPBSA-N
XLogP4.80
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503745
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 92503706
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 92503700
(2R)-N-cyclohexyl-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503737
(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-(2-pyrrolidin-1-ylethyl)propanamide
CID 92503758
N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 93076979
(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-[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
(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
2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 20971114

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide (CID 92503728) is (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide is COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)N[C@@H](C)CCc4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The InChIKey is KHKHDFRLBMPQMV-PMACEKPBSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-19(9-10-21-7-5-4-6-8-21)29-27(32)20(2)22-13-15-31(16-14-22)28(33)26-17-23-11-12-24(34-3)18-25(23)30-26/h4-8,11-12,17-20,22,30H,9-10,13-16H2,1-3H3,(H,29,32)/t19-,20-/m0/s1.
What are the key properties of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide?
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide has a molecular weight of 461.61 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 92503728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).