(3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C18H25N5O — CID 124721744

IUPAC(3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCCc1ccc(CC)c(NC(=O)N2CCC[C@H](n3cncn3)C2)c1
InChIInChI=1S/C18H25N5O/c1-3-14-7-8-15(4-2)17(10-14)21-18(24)22-9-5-6-16(11-22)23-13-19-12-20-23/h7-8,10,12-13,16H,3-6,9,11H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyAHSLWBPJYKRYDY-INIZCTEOSA-N
MW327.43 g/mol
LogP3.27
Rot. Bonds4

About (3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

(3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 124721744) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID124721744
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCCc1ccc(CC)c(NC(=O)N2CCC[C@H](n3cncn3)C2)c1
InChIInChI=1S/C18H25N5O/c1-3-14-7-8-15(4-2)17(10-14)21-18(24)22-9-5-6-16(11-22)23-13-19-12-20-23/h7-8,10,12-13,16H,3-6,9,11H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyAHSLWBPJYKRYDY-INIZCTEOSA-N
XLogP3.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124594461
(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124617527
2-(3-chlorophenoxy)-2-methyl-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 97069948
N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 111490436
(2R)-N-(2,5-diethylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124731980
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124590792
5-(4-methylphenyl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]pentan-1-one
CID 95736663
(3-pentan-3-yl-1,2-oxazol-5-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95776593
(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124570047
(2,5-dimethylthiophen-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 86768302
(3R)-N-[2-(3-cyanophenyl)ethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124739550
(3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124568296

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 124721744) is (3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is CCc1ccc(CC)c(NC(=O)N2CCC[C@H](n3cncn3)C2)c1.
What is the InChIKey of (3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is AHSLWBPJYKRYDY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-14-7-8-15(4-2)17(10-14)21-18(24)22-9-5-6-16(11-22)23-13-19-12-20-23/h7-8,10,12-13,16H,3-6,9,11H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
(3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124721744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).