(2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide

C25H34N4O2 — CID 125009473

IUPAC(2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide
SMILESCc1ccccc1N1CCC(O)(CN2CCN(Cc3ccccc3)C[C@H]2C(N)=O)CC1
InChIInChI=1S/C25H34N4O2/c1-20-7-5-6-10-22(20)28-13-11-25(31,12-14-28)19-29-16-15-27(18-23(29)24(26)30)17-21-8-3-2-4-9-21/h2-10,23,31H,11-19H2,1H3,(H2,26,30)/t23-/m0/s1
InChIKeyVCNYJPGRAWCCDE-QHCPKHFHSA-N
MW422.57 g/mol
LogP2.00
Rot. Bonds6

About (2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide

(2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide (PubChem CID 125009473) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is (2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide
PubChem CID125009473
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name(2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide
SMILESCc1ccccc1N1CCC(O)(CN2CCN(Cc3ccccc3)C[C@H]2C(N)=O)CC1
InChIInChI=1S/C25H34N4O2/c1-20-7-5-6-10-22(20)28-13-11-25(31,12-14-28)19-29-16-15-27(18-23(29)24(26)30)17-21-8-3-2-4-9-21/h2-10,23,31H,11-19H2,1H3,(H2,26,30)/t23-/m0/s1
InChIKeyVCNYJPGRAWCCDE-QHCPKHFHSA-N
XLogP2.00
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide (CID 125009473) is (2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide is Cc1ccccc1N1CCC(O)(CN2CCN(Cc3ccccc3)C[C@H]2C(N)=O)CC1.
What is the InChIKey of (2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide?
The InChIKey is VCNYJPGRAWCCDE-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-20-7-5-6-10-22(20)28-13-11-25(31,12-14-28)19-29-16-15-27(18-23(29)24(26)30)17-21-8-3-2-4-9-21/h2-10,23,31H,11-19H2,1H3,(H2,26,30)/t23-/m0/s1.
What are the key properties of (2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide?
(2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-1-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]piperazine-2-carboxamide is sourced from PubChem (CID 125009473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).