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

C10H13ClN4O2 — CID 137008931

IUPAC1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C10H13ClN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-6(2-4-15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyNNBRCMKJTHIPIY-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.12
Rot. Bonds2

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

1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 137008931) 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-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID137008931
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C10H13ClN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-6(2-4-15)8(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14,17)
InChIKeyNNBRCMKJTHIPIY-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

5-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009791
1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 135122569
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
N-[[1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792776
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794217
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-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805366
5-chloro-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136912693
4-[3-(2-aminoethyl)pyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136929470
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 136954314
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 136957331

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide (CID 137008931) is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is NNBRCMKJTHIPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-7-9(13-5-14-10(7)17)15-3-1-6(2-4-15)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-4-carboxamide?
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-4-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-4-carboxamide is sourced from PubChem (CID 137008931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).