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

C11H16N4O2 — CID 136687975

IUPACN-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H16N4O2/c1-12-11(17)8-3-2-4-15(6-8)9-5-10(16)14-7-13-9/h5,7-8H,2-4,6H2,1H3,(H,12,17)(H,13,14,16)
InChIKeyLBBBTVNFKHIJNE-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.27
Rot. Bonds2

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

N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 136687975) 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-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID136687975
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H16N4O2/c1-12-11(17)8-3-2-4-15(6-8)9-5-10(16)14-7-13-9/h5,7-8H,2-4,6H2,1H3,(H,12,17)(H,13,14,16)
InChIKeyLBBBTVNFKHIJNE-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

N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 136216738
1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-ethyl-3-piperidinecarboxamide
CID 53010405
1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-propylpiperidine-3-carboxamide
CID 53010406
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
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
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-Ethyl-1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-piperidinecarboxamide
CID 53107372
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide
CID 93070869
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-3-carboxamide
CID 93070870

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (CID 136687975) is N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is CNC(=O)C1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is LBBBTVNFKHIJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-12-11(17)8-3-2-4-15(6-8)9-5-10(16)14-7-13-9/h5,7-8H,2-4,6H2,1H3,(H,12,17)(H,13,14,16).
What are the key properties of N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-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-3-carboxamide is sourced from PubChem (CID 136687975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).