1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide

C13H18N4O3 — CID 136834832

IUPAC1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C13H18N4O3/c1-8-14-11(7-12(19)15-8)16-13(20)10-3-5-17(6-4-10)9(2)18/h7,10H,3-6H2,1-2H3,(H2,14,15,16,19,20)
InChIKeyPFQUFECZSMSKNG-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.28
Rot. Bonds2

About 1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide

1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 136834832) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID136834832
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C13H18N4O3/c1-8-14-11(7-12(19)15-8)16-13(20)10-3-5-17(6-4-10)9(2)18/h7,10H,3-6H2,1-2H3,(H2,14,15,16,19,20)
InChIKeyPFQUFECZSMSKNG-UHFFFAOYSA-N
XLogP0.28
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72874444
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 136216738
N-ethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 139019818
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 175648121
6-amino-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135638182
N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 175761646
N-methyl-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 24250054
1-(2,6-Dioxo-1-propyl-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 90489830
1-(4-Amino-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxamide
CID 135646539
1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide
CID 135875007
1-{Imino[(6-methyl-4-oxo(3-hydropyrimidin-2-yl))amino]methyl}piperidine-4-carb oxamide
CID 136085832
1-[(2-Isopropyl-6-oxo-1,6-dihydro-4-pyrimidinyl)methyl]-4-piperidinecarboxamide
CID 136087956

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide (CID 136834832) is 1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of 1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is PFQUFECZSMSKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8-14-11(7-12(19)15-8)16-13(20)10-3-5-17(6-4-10)9(2)18/h7,10H,3-6H2,1-2H3,(H2,14,15,16,19,20).
What are the key properties of 1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 136834832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).