(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid

C10H13N3O3 — CID 136914108

IUPAC(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3/c14-9-4-8(11-6-12-9)13-3-1-2-7(5-13)10(15)16/h4,6-7H,1-3,5H2,(H,15,16)(H,11,12,14)/t7-/m1/s1
InChIKeyPVHYMLCSLUIQCN-SSDOTTSWSA-N
MW223.23 g/mol
LogP0.07
Rot. Bonds2

About (3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid

(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 136914108) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID136914108
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3/c14-9-4-8(11-6-12-9)13-3-1-2-7(5-13)10(15)16/h4,6-7H,1-3,5H2,(H,15,16)(H,11,12,14)/t7-/m1/s1
InChIKeyPVHYMLCSLUIQCN-SSDOTTSWSA-N
XLogP0.07
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride
CID 139026681
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
4-[3-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957980
4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957515
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989738
4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136987918
1-[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 136958592
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136958068
4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015715
(3R)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxylic acid
CID 92669109
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 126848226

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid (CID 136914108) is (3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of (3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is PVHYMLCSLUIQCN-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-4-8(11-6-12-9)13-3-1-2-7(5-13)10(15)16/h4,6-7H,1-3,5H2,(H,15,16)(H,11,12,14)/t7-/m1/s1.
What are the key properties of (3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 136914108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).