2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide

C25H28N4O5 — CID 167619867

IUPAC2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide
SMILESCOc1cccc2[nH]c(C(=O)C[C@H]3CC(C)CN(C(Cc4ccc[nH]c4=O)C(N)=O)C3=O)cc12
InChIInChI=1S/C25H28N4O5/c1-14-9-16(11-21(30)19-12-17-18(28-19)6-3-7-22(17)34-2)25(33)29(13-14)20(23(26)31)10-15-5-4-8-27-24(15)32/h3-8,12,14,16,20,28H,9-11,13H2,1-2H3,(H2,26,31)(H,27,32)/t14?,16-,20?/m1/s1
InChIKeyLQHILGUSWWGMKJ-CZDRUDQFSA-N
MW464.52 g/mol
LogP2.02
Rot. Bonds8

About 2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide

2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 167619867) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound Name2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide
PubChem CID167619867
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide
SMILESCOc1cccc2[nH]c(C(=O)C[C@H]3CC(C)CN(C(Cc4ccc[nH]c4=O)C(N)=O)C3=O)cc12
InChIInChI=1S/C25H28N4O5/c1-14-9-16(11-21(30)19-12-17-18(28-19)6-3-7-22(17)34-2)25(33)29(13-14)20(23(26)31)10-15-5-4-8-27-24(15)32/h3-8,12,14,16,20,28H,9-11,13H2,1-2H3,(H2,26,31)(H,27,32)/t14?,16-,20?/m1/s1
InChIKeyLQHILGUSWWGMKJ-CZDRUDQFSA-N
XLogP2.02
TPSA138.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[1-amino-1-oxo-3-(2-oxo-1H-pyridin-3-yl)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide
CID 159796246
(2R)-N-[(1S)-1-cyano-2-(2-oxo-1H-pyridin-3-yl)ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide
CID 158044758
1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carboxamide
CID 175458520
N-[(2S)-1-[[1-cyano-2-(2-oxo-1H-pyridin-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162466407
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide
CID 159527404
methyl (2S)-2-[[(2S,4R)-1-(4-methoxy-1H-indole-2-carbonyl)-4-methylpyrrolidine-2-carbonyl]amino]-3-[(1S)-2-oxocyclopentyl]propanoate
CID 163810900
N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 175458577
N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166840713
(2S,4S)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-fluoro-1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 171530313
N-[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
CID 166744873

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of 2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide (CID 167619867) is 2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for 2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for 2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide is COc1cccc2[nH]c(C(=O)C[C@H]3CC(C)CN(C(Cc4ccc[nH]c4=O)C(N)=O)C3=O)cc12.
What is the InChIKey of 2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is LQHILGUSWWGMKJ-CZDRUDQFSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-14-9-16(11-21(30)19-12-17-18(28-19)6-3-7-22(17)34-2)25(33)29(13-14)20(23(26)31)10-15-5-4-8-27-24(15)32/h3-8,12,14,16,20,28H,9-11,13H2,1-2H3,(H2,26,31)(H,27,32)/t14?,16-,20?/m1/s1.
What are the key properties of 2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide?
2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 464.52 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-5-methyl-2-oxopiperidin-1-yl]-3-(2-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 167619867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).