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

C11H15ClN4O2 — CID 136971085

IUPAC1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H15ClN4O2/c1-6-2-3-7(9(13)17)4-16(6)10-8(12)11(18)15-5-14-10/h5-7H,2-4H2,1H3,(H2,13,17)(H,14,15,18)
InChIKeyUOYNMFCECUISKK-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.51
Rot. Bonds2

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

1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide (PubChem CID 136971085) 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)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
PubChem CID136971085
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H15ClN4O2/c1-6-2-3-7(9(13)17)4-16(6)10-8(12)11(18)15-5-14-10/h5-7H,2-4H2,1H3,(H2,13,17)(H,14,15,18)
InChIKeyUOYNMFCECUISKK-UHFFFAOYSA-N
XLogP0.51
TPSA92.08 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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 136971083
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 136971086
5-chloro-4-(2,5-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136971373
4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136973289
4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 136974482
5-chloro-4-[3-(methylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977682
5-chloro-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977969
N-(2-aminoethyl)-1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136978013
4-(4-amino-3-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136978765

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide (CID 136971085) is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The InChIKey is UOYNMFCECUISKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-6-2-3-7(9(13)17)4-16(6)10-8(12)11(18)15-5-14-10/h5-7H,2-4H2,1H3,(H2,13,17)(H,14,15,18).
What are the key properties of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-6-methylpiperidine-3-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.51, 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)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 136971085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).