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

C10H14ClN3O3 — CID 139026681

IUPAC1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3.ClH/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);1H
InChIKeyWESWTBFGPXOOSS-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.49
Rot. Bonds2

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

1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride (PubChem CID 139026681) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride
PubChem CID139026681
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O3.ClH/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);1H
InChIKeyWESWTBFGPXOOSS-UHFFFAOYSA-N
XLogP0.49
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108
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 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride (CID 139026681) is 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride?
The InChIKey is WESWTBFGPXOOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3.ClH/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);1H.
What are the key properties of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride?
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride has a molecular weight of 259.69 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 139026681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).