(3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid

C16H17N3O4 — CID 119113428

IUPAC(3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ccn2c(=O)c(C(=O)N3CCC[C@H](C(=O)O)C3)cnc2c1
InChIInChI=1S/C16H17N3O4/c1-10-4-6-19-13(7-10)17-8-12(15(19)21)14(20)18-5-2-3-11(9-18)16(22)23/h4,6-8,11H,2-3,5,9H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyKSZMMBKMXNBBNU-NSHDSACASA-N
MW315.33 g/mol
LogP0.94
Rot. Bonds2

About (3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 119113428) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is (3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID119113428
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name(3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ccn2c(=O)c(C(=O)N3CCC[C@H](C(=O)O)C3)cnc2c1
InChIInChI=1S/C16H17N3O4/c1-10-4-6-19-13(7-10)17-8-12(15(19)21)14(20)18-5-2-3-11(9-18)16(22)23/h4,6-8,11H,2-3,5,9H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyKSZMMBKMXNBBNU-NSHDSACASA-N
XLogP0.94
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid with MolForge

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Related Compounds

4-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239079
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 120660168
(3R)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 81127589
(3aS,6aR)-2-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683779
3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97007914
2-methyl-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545360
ethyl (2R)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylate
CID 124627692
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 43355862
3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119377302
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid (CID 119113428) is (3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid is Cc1ccn2c(=O)c(C(=O)N3CCC[C@H](C(=O)O)C3)cnc2c1.
What is the InChIKey of (3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is KSZMMBKMXNBBNU-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10-4-6-19-13(7-10)17-8-12(15(19)21)14(20)18-5-2-3-11(9-18)16(22)23/h4,6-8,11H,2-3,5,9H2,1H3,(H,22,23)/t11-/m0/s1.
What are the key properties of (3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119113428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).