[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone

C22H24N4O — CID 97127200

IUPAC[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncn[nH]1)N1CCCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(20-12-5-4-11-19(20)21-23-16-24-25-21)26-15-7-6-10-18(26)14-13-17-8-2-1-3-9-17/h1-5,8-9,11-12,16,18H,6-7,10,13-15H2,(H,23,24,25)/t18-/m1/s1
InChIKeyYUOQSDJLCNBRIE-GOSISDBHSA-N
MW360.46 g/mol
LogP4.10
Rot. Bonds5

About [(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone

[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone (PubChem CID 97127200) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
PubChem CID97127200
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncn[nH]1)N1CCCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(20-12-5-4-11-19(20)21-23-16-24-25-21)26-15-7-6-10-18(26)14-13-17-8-2-1-3-9-17/h1-5,8-9,11-12,16,18H,6-7,10,13-15H2,(H,23,24,25)/t18-/m1/s1
InChIKeyYUOQSDJLCNBRIE-GOSISDBHSA-N
XLogP4.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 136757581
[2-(3-fluorophenyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 70712664
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 70786804
1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 97101247
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10135575
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97118979
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97118978
3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97247319
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96576779

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone (CID 97127200) is [(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone is O=C(c1ccccc1-c1ncn[nH]1)N1CCCC[C@@H]1CCc1ccccc1.
What is the InChIKey of [(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The InChIKey is YUOQSDJLCNBRIE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(20-12-5-4-11-19(20)21-23-16-24-25-21)26-15-7-6-10-18(26)14-13-17-8-2-1-3-9-17/h1-5,8-9,11-12,16,18H,6-7,10,13-15H2,(H,23,24,25)/t18-/m1/s1.
What are the key properties of [(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone has a molecular weight of 360.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone is sourced from PubChem (CID 97127200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).