(2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one

C24H28N4O2 — CID 51592036

IUPAC(2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESC[C@H](Cn1cncn1)C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c1-19(16-28-18-25-17-26-28)23(29)27-14-12-22(13-15-27)24(30,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,17-19,22,30H,12-16H2,1H3/t19-/m1/s1
InChIKeyLZASFBDVHXATCV-LJQANCHMSA-N
MW404.51 g/mol
LogP3.09
Rot. Bonds6

About (2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one

(2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 51592036) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID51592036
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESC[C@H](Cn1cncn1)C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c1-19(16-28-18-25-17-26-28)23(29)27-14-12-22(13-15-27)24(30,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,17-19,22,30H,12-16H2,1H3/t19-/m1/s1
InChIKeyLZASFBDVHXATCV-LJQANCHMSA-N
XLogP3.09
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one 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-[[1-[2-methyl-3-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]methyl]benzoic acid
CID 56895516
2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 131910716
(2S)-2-methyl-1-[(2R)-2-(2-phenylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 92582374
2-methyl-1-[2-(2-phenylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 46957978
8-[2-methyl-3-(1,2,4-triazol-1-yl)propanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70779117
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
(2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 97276713
(2S)-2-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 7445057
1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 7445064
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131926945
2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 63810853

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of (2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one (CID 51592036) is (2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for (2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one is C[C@H](Cn1cncn1)C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is LZASFBDVHXATCV-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-19(16-28-18-25-17-26-28)23(29)27-14-12-22(13-15-27)24(30,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,17-19,22,30H,12-16H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one?
(2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 404.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 51592036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).