N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C19H27N5O — CID 75443272

IUPACN-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)N1CCCC(c2nncn2CC)C1
InChIInChI=1S/C19H27N5O/c1-4-15-9-6-8-14(3)17(15)21-19(25)24-11-7-10-16(12-24)18-22-20-13-23(18)5-2/h6,8-9,13,16H,4-5,7,10-12H2,1-3H3,(H,21,25)
InChIKeyLBNCBZGVGAFJMI-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.58
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 75443272) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID75443272
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)N1CCCC(c2nncn2CC)C1
InChIInChI=1S/C19H27N5O/c1-4-15-9-6-8-14(3)17(15)21-19(25)24-11-7-10-16(12-24)18-22-20-13-23(18)5-2/h6,8-9,13,16H,4-5,7,10-12H2,1-3H3,(H,21,25)
InChIKeyLBNCBZGVGAFJMI-UHFFFAOYSA-N
XLogP3.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-[(R)-methylsulfinyl]phenyl]piperidine-1-carboxamide
CID 97334567
(3R)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97128365
(3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97128366
N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 70739555
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538179
1-[(3R)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,2-difluoro-2-(3-methyl-2-pyridinyl)ethanone
CID 124627547
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97349988
N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75476594
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735
(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 97257410
(3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97258239

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 75443272) is N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CCc1cccc(C)c1NC(=O)N1CCCC(c2nncn2CC)C1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is LBNCBZGVGAFJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-15-9-6-8-14(3)17(15)21-19(25)24-11-7-10-16(12-24)18-22-20-13-23(18)5-2/h6,8-9,13,16H,4-5,7,10-12H2,1-3H3,(H,21,25).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75443272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).