1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid

C14H19N3O3 — CID 136972392

IUPAC1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H19N3O3/c1-14(13(19)20)6-2-3-7-17(14)10-8-11(18)16-12(15-10)9-4-5-9/h8-9H,2-7H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyPQMGWMWNQBOTNW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.48
Rot. Bonds3

About 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 136972392) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
PubChem CID136972392
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H19N3O3/c1-14(13(19)20)6-2-3-7-17(14)10-8-11(18)16-12(15-10)9-4-5-9/h8-9H,2-7H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyPQMGWMWNQBOTNW-UHFFFAOYSA-N
XLogP1.48
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137258814
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137008934
methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 137007527
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 137009141
2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136804107
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958612
1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 104595800
4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959134
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958750
2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 136959028

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid (CID 136972392) is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is PQMGWMWNQBOTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(13(19)20)6-2-3-7-17(14)10-8-11(18)16-12(15-10)9-4-5-9/h8-9H,2-7H2,1H3,(H,19,20)(H,15,16,18).
What are the key properties of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid?
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 136972392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).