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

C12H18N4O2 — CID 136687971

IUPACN-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C12H18N4O2/c1-8-14-10(6-11(17)15-8)16-5-3-4-9(7-16)12(18)13-2/h6,9H,3-5,7H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyOYAOJMNSHCJPQJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.04
Rot. Bonds2

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

N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 136687971) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID136687971
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C12H18N4O2/c1-8-14-10(6-11(17)15-8)16-5-3-4-9(7-16)12(18)13-2/h6,9H,3-5,7H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyOYAOJMNSHCJPQJ-UHFFFAOYSA-N
XLogP0.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.04
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
1-cyclopentyl-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 136216795
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)-2-[1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648253
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
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
3-methyl-N'-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]piperidine-1-carboximidamide
CID 121829091

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (CID 136687971) is N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is CNC(=O)C1CCCN(c2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is OYAOJMNSHCJPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-14-10(6-11(17)15-8)16-5-3-4-9(7-16)12(18)13-2/h6,9H,3-5,7H2,1-2H3,(H,13,18)(H,14,15,17).
What are the key properties of N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 136687971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).