1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

C10H13ClN4O2 — CID 137009002

IUPAC1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H13ClN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-2-6(4-15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyUJWBXRWUDFULIZ-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.12
Rot. Bonds2

About 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 137009002) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID137009002
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H13ClN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-2-6(4-15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyUJWBXRWUDFULIZ-UHFFFAOYSA-N
XLogP0.12
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687959
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687972
N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687975
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136689238
N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792776
5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805330
5-chloro-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805338
5-chloro-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805356
5-chloro-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805366
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136957389
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136957390
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 136971085

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (CID 137009002) is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is UJWBXRWUDFULIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-2-6(4-15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17).
What are the key properties of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 137009002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).