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

C18H22N4O3 — CID 136988474

IUPACN-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(c3cc(=O)[nH]c(C)n3)C2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-19-16(10-17(23)20-12)13-4-3-9-22(11-13)18(24)21-14-5-7-15(25-2)8-6-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,21,24)(H,19,20,23)
InChIKeyFFKJVSGCBWSENY-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.50
Rot. Bonds3

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

N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (PubChem CID 136988474) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
PubChem CID136988474
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(c3cc(=O)[nH]c(C)n3)C2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-19-16(10-17(23)20-12)13-4-3-9-22(11-13)18(24)21-14-5-7-15(25-2)8-6-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,21,24)(H,19,20,23)
InChIKeyFFKJVSGCBWSENY-UHFFFAOYSA-N
XLogP2.50
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988407
(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137036839
N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136948058
N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988379
3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide
CID 136998492
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
4-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136763679
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136763677
4-[1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760213
(3R)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456358
4-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760277

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (CID 136988474) is N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC(c3cc(=O)[nH]c(C)n3)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The InChIKey is FFKJVSGCBWSENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-19-16(10-17(23)20-12)13-4-3-9-22(11-13)18(24)21-14-5-7-15(25-2)8-6-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,21,24)(H,19,20,23).
What are the key properties of N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136988474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).