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

C11H16N4O2 — CID 136957497

IUPACN-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H16N4O2/c1-12-11(17)8-2-4-15(5-3-8)9-6-10(16)14-7-13-9/h6-8H,2-5H2,1H3,(H,12,17)(H,13,14,16)
InChIKeyGVLBLISLLKDXAS-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.27
Rot. Bonds2

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

N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 136957497) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID136957497
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H16N4O2/c1-12-11(17)8-2-4-15(5-3-8)9-6-10(16)14-7-13-9/h6-8H,2-5H2,1H3,(H,12,17)(H,13,14,16)
InChIKeyGVLBLISLLKDXAS-UHFFFAOYSA-N
XLogP-0.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957965
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}-2,2-dimethylpropanamide
CID 165431797
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431804
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 175648121
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
6-amino-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135638182
4-(4-piperidin-4-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136205542
4-(3,3,5,5-tetramethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136482268
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
N,N-dimethyl-1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxamide
CID 165103559
4-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 173826255

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide (CID 136957497) is N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide is CNC(=O)C1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is GVLBLISLLKDXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-12-11(17)8-2-4-15(5-3-8)9-6-10(16)14-7-13-9/h6-8H,2-5H2,1H3,(H,12,17)(H,13,14,16).
What are the key properties of N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide?
N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.27, 2 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-1H-pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 136957497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).