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

C11H15ClN4O2 — CID 137009136

IUPAC1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H15ClN4O2/c1-13-10(17)7-2-4-16(5-3-7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18)
InChIKeyJTSBSQXQNBUUFM-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.39
Rot. Bonds2

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

1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 137009136) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
PubChem CID137009136
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H15ClN4O2/c1-13-10(17)7-2-4-16(5-3-7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18)
InChIKeyJTSBSQXQNBUUFM-UHFFFAOYSA-N
XLogP0.39
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.39
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
5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749170
5-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772455
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-[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
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136948247

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (CID 137009136) is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is JTSBSQXQNBUUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-13-10(17)7-2-4-16(5-3-7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18).
What are the key properties of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.39, 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)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 137009136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).