(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C16H20FN5O — CID 124594461

IUPAC(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1F
InChIInChI=1S/C16H20FN5O/c1-2-12-5-6-13(8-15(12)17)20-16(23)21-7-3-4-14(9-21)22-11-18-10-19-22/h5-6,8,10-11,14H,2-4,7,9H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyAZHIRNJQKHKGRN-CQSZACIVSA-N
MW317.37 g/mol
LogP2.85
Rot. Bonds3

About (3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 124594461) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is (3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID124594461
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1F
InChIInChI=1S/C16H20FN5O/c1-2-12-5-6-13(8-15(12)17)20-16(23)21-7-3-4-14(9-21)22-11-18-10-19-22/h5-6,8,10-11,14H,2-4,7,9H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyAZHIRNJQKHKGRN-CQSZACIVSA-N
XLogP2.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2,5-diethylphenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124721744
3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
CID 86799909
(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124570047
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124590792
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
N-(4-ethyl-3-fluorophenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75518465
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
(3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide
CID 164634113
(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124617527
(2,5-dimethylthiophen-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 86768302
N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
CID 95153262
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 124594461) is (3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is CCc1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1F.
What is the InChIKey of (3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is AZHIRNJQKHKGRN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-2-12-5-6-13(8-15(12)17)20-16(23)21-7-3-4-14(9-21)22-11-18-10-19-22/h5-6,8,10-11,14H,2-4,7,9H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
(3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-ethyl-3-fluorophenyl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124594461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).