1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

C20H26N4O — CID 3223401

IUPAC1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCN(c3nccc(C)n3)C2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-13-10-14(2)18(15(3)11-13)23-19(25)17-6-5-9-24(12-17)20-21-8-7-16(4)22-20/h7-8,10-11,17H,5-6,9,12H2,1-4H3,(H,23,25)
InChIKeyVDJPVEHRKFJFCG-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.57
Rot. Bonds3

About 1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (PubChem CID 3223401) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
PubChem CID3223401
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCN(c3nccc(C)n3)C2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-13-10-14(2)18(15(3)11-13)23-19(25)17-6-5-9-24(12-17)20-21-8-7-16(4)22-20/h7-8,10-11,17H,5-6,9,12H2,1-4H3,(H,23,25)
InChIKeyVDJPVEHRKFJFCG-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383
N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223397
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
(3S)-N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452724
N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223412
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 23609722
(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1452732
N-(2-chloro-4,6-dimethoxyphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53102048
(3S)-N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452595
(3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 124765449

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (CID 3223401) is 1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is Cc1cc(C)c(NC(=O)C2CCCN(c3nccc(C)n3)C2)c(C)c1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The InChIKey is VDJPVEHRKFJFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-10-14(2)18(15(3)11-13)23-19(25)17-6-5-9-24(12-17)20-21-8-7-16(4)22-20/h7-8,10-11,17H,5-6,9,12H2,1-4H3,(H,23,25).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3223401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).