N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide

C19H24N4O2 — CID 110100195

IUPACN-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2(C)CCCN(c3cc(C)ncn3)C2)c1
InChIInChI=1S/C19H24N4O2/c1-14-10-17(21-13-20-14)23-9-5-8-19(2,12-23)18(24)22-15-6-4-7-16(11-15)25-3/h4,6-7,10-11,13H,5,8-9,12H2,1-3H3,(H,22,24)
InChIKeyPKSXUXCPHGQYGF-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.04
Rot. Bonds4

About N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide

N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 110100195) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID110100195
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2(C)CCCN(c3cc(C)ncn3)C2)c1
InChIInChI=1S/C19H24N4O2/c1-14-10-17(21-13-20-14)23-9-5-8-19(2,12-23)18(24)22-15-6-4-7-16(11-15)25-3/h4,6-7,10-11,13H,5,8-9,12H2,1-3H3,(H,22,24)
InChIKeyPKSXUXCPHGQYGF-UHFFFAOYSA-N
XLogP3.04
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 90520746
N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171974
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117302
N-(3-methoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 22585362
2-[4-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 172882295
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
1-(3-methoxyphenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966881
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 110100201
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide (CID 110100195) is N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide is COc1cccc(NC(=O)C2(C)CCCN(c3cc(C)ncn3)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is PKSXUXCPHGQYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-10-17(21-13-20-14)23-9-5-8-19(2,12-23)18(24)22-15-6-4-7-16(11-15)25-3/h4,6-7,10-11,13H,5,8-9,12H2,1-3H3,(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide?
N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 110100195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).