2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid

C14H18N2O4 — CID 103804158

IUPAC2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESCc1cc(=O)c(C(=O)N2CCCC(CC(=O)O)C2)c[nH]1
InChIInChI=1S/C14H18N2O4/c1-9-5-12(17)11(7-15-9)14(20)16-4-2-3-10(8-16)6-13(18)19/h5,7,10H,2-4,6,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyLNMXEDDKTBCXFR-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.01
Rot. Bonds3

About 2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid

2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 103804158) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
PubChem CID103804158
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESCc1cc(=O)c(C(=O)N2CCCC(CC(=O)O)C2)c[nH]1
InChIInChI=1S/C14H18N2O4/c1-9-5-12(17)11(7-15-9)14(20)16-4-2-3-10(8-16)6-13(18)19/h5,7,10H,2-4,6,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyLNMXEDDKTBCXFR-UHFFFAOYSA-N
XLogP1.01
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(cyclopropylmethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 127944288
2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid
CID 62689906
methyl (3S)-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 103717921
2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 62691283
2-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103785634
2-[1-(2-aminobenzoyl)piperidin-3-yl]acetic acid
CID 55105002
5-[3-(4-tert-butylbenzoyl)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 56915916
5-[3-[(4-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one;formic acid
CID 171710365
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 103946512
methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 103717650
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62691270

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid (CID 103804158) is 2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid is Cc1cc(=O)c(C(=O)N2CCCC(CC(=O)O)C2)c[nH]1.
What is the InChIKey of 2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is LNMXEDDKTBCXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-5-12(17)11(7-15-9)14(20)16-4-2-3-10(8-16)6-13(18)19/h5,7,10H,2-4,6,8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 103804158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).