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

C20H26N4O — CID 3224330

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1
InChIInChI=1S/C20H26N4O/c1-4-16-7-9-18(10-8-16)23-19(25)17-6-5-11-24(13-17)20-21-14(2)12-15(3)22-20/h7-10,12,17H,4-6,11,13H2,1-3H3,(H,23,25)
InChIKeyNSSUTETWDRYCLJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.51
Rot. Bonds4

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

1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide (PubChem CID 3224330) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide
PubChem CID3224330
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1
InChIInChI=1S/C20H26N4O/c1-4-16-7-9-18(10-8-16)23-19(25)17-6-5-11-24(13-17)20-21-14(2)12-15(3)22-20/h7-10,12,17H,4-6,11,13H2,1-3H3,(H,23,25)
InChIKeyNSSUTETWDRYCLJ-UHFFFAOYSA-N
XLogP3.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
N-(4-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224267
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 96557834
1-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 3224220
(3R)-N-(4-tert-butylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443903
(3S)-N-(4-tert-butylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443906
N-(2,5-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224260
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)-1-(4,6-dimethylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96558140
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 7436330
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
CID 96557536

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide (CID 3224330) is 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide is CCc1ccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is NSSUTETWDRYCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-16-7-9-18(10-8-16)23-19(25)17-6-5-11-24(13-17)20-21-14(2)12-15(3)22-20/h7-10,12,17H,4-6,11,13H2,1-3H3,(H,23,25).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3224330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).