1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

C14H20N4O2 — CID 137009141

IUPAC1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H20N4O2/c1-15-14(20)10-4-6-18(7-5-10)11-8-12(19)17-13(16-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,15,20)(H,16,17,19)
InChIKeyVDUDHSMIPZYQNV-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.61
Rot. Bonds3

About 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 137009141) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
PubChem CID137009141
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H20N4O2/c1-15-14(20)10-4-6-18(7-5-10)11-8-12(19)17-13(16-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,15,20)(H,16,17,19)
InChIKeyVDUDHSMIPZYQNV-UHFFFAOYSA-N
XLogP0.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 137007527
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137008934
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958750
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892
2-cyclopropyl-4-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007807
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-5-one
CID 137009553
2-cyclopropyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137009758
2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137009710
2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 136959028

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (CID 137009141) is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is VDUDHSMIPZYQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-15-14(20)10-4-6-18(7-5-10)11-8-12(19)17-13(16-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,15,20)(H,16,17,19).
What are the key properties of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 137009141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).