(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

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Related Compounds

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanone
CID 50953285
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 70732591
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one
CID 146092340
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
2-amino-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 72867223
1-[1-[(2S)-4,4-difluoropyrrolidine-2-carbonyl]-4-phenylpiperidin-4-yl]ethanone
CID 70777587
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 70763714
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 16677782
1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 62639706
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 43546852
1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433322

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).