(2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

C20H26N4O2 — CID 97149522

IUPAC(2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](N)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C20H26N4O2/c1-13-17(14(2)23-22-13)18(21)19(26)24-11-9-20(10-12-24,15(3)25)16-7-5-4-6-8-16/h4-8,18H,9-12,21H2,1-3H3,(H,22,23)/t18-/m1/s1
InChIKeyJVUWUVRAWXQPML-GOSISDBHSA-N
MW354.45 g/mol
LogP2.18
Rot. Bonds4

About (2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

(2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (PubChem CID 97149522) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name(2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
PubChem CID97149522
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](N)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C20H26N4O2/c1-13-17(14(2)23-22-13)18(21)19(26)24-11-9-20(10-12-24,15(3)25)16-7-5-4-6-8-16/h4-8,18H,9-12,21H2,1-3H3,(H,22,23)/t18-/m1/s1
InChIKeyJVUWUVRAWXQPML-GOSISDBHSA-N
XLogP2.18
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone 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 (2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The IUPAC name of (2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (CID 97149522) is (2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for (2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The canonical SMILES for (2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](N)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of (2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The InChIKey is JVUWUVRAWXQPML-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13-17(14(2)23-22-13)18(21)19(26)24-11-9-20(10-12-24,15(3)25)16-7-5-4-6-8-16/h4-8,18H,9-12,21H2,1-3H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
(2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone has a molecular weight of 354.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-acetyl-4-phenylpiperidin-1-yl)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 97149522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).