(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide

C16H27N5O — CID 97350725

IUPAC(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1
InChIInChI=1S/C16H27N5O/c1-2-17-16(22)21-10-6-9-13(11-21)15-18-14(19-20-15)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,17,22)(H,18,19,20)/t13-/m1/s1
InChIKeyZFAKJFRXZRVNBZ-CYBMUJFWSA-N
MW305.43 g/mol
LogP2.76
Rot. Bonds3

About (3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide

(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide (PubChem CID 97350725) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
PubChem CID97350725
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1
InChIInChI=1S/C16H27N5O/c1-2-17-16(22)21-10-6-9-13(11-21)15-18-14(19-20-15)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,17,22)(H,18,19,20)/t13-/m1/s1
InChIKeyZFAKJFRXZRVNBZ-CYBMUJFWSA-N
XLogP2.76
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
CID 75476886
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 127855193
(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 97339609
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75437353
(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide
CID 110194772
[(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 97339722
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 75451642
1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
CID 132972299
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 139001025
1-[(3R)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 95111120
(3-chloro-5-fluorophenyl)-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 138996513

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide (CID 97350725) is (3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1.
What is the InChIKey of (3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide?
The InChIKey is ZFAKJFRXZRVNBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N5O/c1-2-17-16(22)21-10-6-9-13(11-21)15-18-14(19-20-15)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,17,22)(H,18,19,20)/t13-/m1/s1.
What are the key properties of (3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide?
(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 97350725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).