N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide

C14H22N4O2 — CID 136687977

IUPACN-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C14H22N4O2/c1-9(2)13-16-11(7-12(19)17-13)18-6-4-5-10(8-18)14(20)15-3/h7,9-10H,4-6,8H2,1-3H3,(H,15,20)(H,16,17,19)
InChIKeyBCERADCTGLKRBJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.86
Rot. Bonds3

About N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide

N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 136687977) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID136687977
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C14H22N4O2/c1-9(2)13-16-11(7-12(19)17-13)18-6-4-5-10(8-18)14(20)15-3/h7,9-10H,4-6,8H2,1-3H3,(H,15,20)(H,16,17,19)
InChIKeyBCERADCTGLKRBJ-UHFFFAOYSA-N
XLogP0.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.86
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-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)piperidine-3-carboxamide
CID 177802488
1'-methyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-1,4'-bipiperidine-3-carboxamide
CID 136147228
4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 154942917
2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339735
N,2-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339736
N-[3-(dimethylamino)propyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339737
N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72920934
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
1-cyclohexyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]piperidine-3-carboxamide
CID 136086593

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide (CID 136687977) is N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide is CNC(=O)C1CCCN(c2cc(=O)[nH]c(C(C)C)n2)C1.
What is the InChIKey of N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is BCERADCTGLKRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)13-16-11(7-12(19)17-13)18-6-4-5-10(8-18)14(20)15-3/h7,9-10H,4-6,8H2,1-3H3,(H,15,20)(H,16,17,19).
What are the key properties of N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 136687977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).