1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid

C20H24N4O4 — CID 68937217

IUPAC1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCCC(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2)nc1CN1CCCC1=O
InChIInChI=1S/C20H24N4O4/c1-2-17(25)15-10-14(11-21)19(23-8-5-13(6-9-23)20(27)28)22-16(15)12-24-7-3-4-18(24)26/h10,13H,2-9,12H2,1H3,(H,27,28)
InChIKeyMTLPSQVXYQWKJM-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.97
Rot. Bonds6

About 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid

1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 68937217) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID68937217
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCCC(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2)nc1CN1CCCC1=O
InChIInChI=1S/C20H24N4O4/c1-2-17(25)15-10-14(11-21)19(23-8-5-13(6-9-23)20(27)28)22-16(15)12-24-7-3-4-18(24)26/h10,13H,2-9,12H2,1H3,(H,27,28)
InChIKeyMTLPSQVXYQWKJM-UHFFFAOYSA-N
XLogP1.97
TPSA114.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[3-cyano-5-ethylsulfanylcarbonyl-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 86622580
1-[5-carbonofluoridoyl-3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 87598871
1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-pentanoyl-2-pyridinyl]-N-(1-phenylethylsulfonyl)piperidine-4-carboxamide
CID 25204496
2-tert-butyl-1-[3-cyano-5-(cyclopropanecarbonyl)-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 91037252
propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate
CID 69167998
1-[5-butanoyl-3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]-N-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 68946535
N-benzylsulfonyl-1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-(4,4,4-trifluorobutanoyl)-2-pyridinyl]piperidine-4-carboxamide
CID 25204433
5-cyano-6-[4-(cyclopentylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carbothioic S-acid
CID 87720587
ethyl 5-cyano-6-[4-(cyclopentylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate
CID 25000521
N-benzylsulfonyl-1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-pent-4-enoyl-2-pyridinyl]piperidine-4-carboxamide
CID 25204013
6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 69168279
1-[3-cyano-5-(cyclopropanecarbonyl)-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]-N-[(4-fluorophenyl)-methylsulfamoyl]piperidine-4-carboxamide
CID 25204012

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid (CID 68937217) is 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid is CCC(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2)nc1CN1CCCC1=O.
What is the InChIKey of 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is MTLPSQVXYQWKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-2-17(25)15-10-14(11-21)19(23-8-5-13(6-9-23)20(27)28)22-16(15)12-24-7-3-4-18(24)26/h10,13H,2-9,12H2,1H3,(H,27,28).
What are the key properties of 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid?
1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 68937217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).