1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide

C19H24N4O2 — CID 3224210

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-11-14(2)21-19(20-13)23-10-4-5-15(12-23)18(24)22-16-6-8-17(25-3)9-7-16/h6-9,11,15H,4-5,10,12H2,1-3H3,(H,22,24)
InChIKeyILFJOLQIRVKURQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.96
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 3224210) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
PubChem CID3224210
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-11-14(2)21-19(20-13)23-10-4-5-15(12-23)18(24)22-16-6-8-17(25-3)9-7-16/h6-9,11,15H,4-5,10,12H2,1-3H3,(H,22,24)
InChIKeyILFJOLQIRVKURQ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propoxy)phenyl)acetamide (2g)
CID 91937745
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 3221265
N~2~-benzyl-N~4~-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 807557
N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 655328
1-{2-Amino-6-[4-(2-isopropoxy-phenyl)-piperazin-1-ylmethyl]-pyrimidin-4-ylmethyl}-piperidin-2-one
CID 12134985
N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 44511967
2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 54764411
4-N-(3-fluoro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 57394240
4-(4-Methoxybenzyl)-6-[1-(phenylcarbonyl)piperidin-4-yl]pyrimidin-2-amine
CID 15428768
N,N'-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 910857
N-(4,6-Dimethyl-pyrimidin-2-yl)-N'-[4-(3-methyl-butoxy)-phenyl]-guanidine
CID 9595080
N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 59508963

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide (CID 3224210) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is ILFJOLQIRVKURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-11-14(2)21-19(20-13)23-10-4-5-15(12-23)18(24)22-16-6-8-17(25-3)9-7-16/h6-9,11,15H,4-5,10,12H2,1-3H3,(H,22,24).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3224210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).