2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C27H32N6O2 — CID 25412951

IUPAC2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C27H32N6O2/c1-19-25(20(2)33(30-19)23-8-4-3-5-9-23)26-27(35)28-14-17-32(26)18-24(34)29-21-10-12-22(13-11-21)31-15-6-7-16-31/h3-5,8-13,26H,6-7,14-18H2,1-2H3,(H,28,35)(H,29,34)/t26-/m1/s1
InChIKeyZPDVBZZRUYEPIM-AREMUKBSSA-N
MW472.59 g/mol
LogP3.20
Rot. Bonds6

About 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 25412951) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID25412951
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C27H32N6O2/c1-19-25(20(2)33(30-19)23-8-4-3-5-9-23)26-27(35)28-14-17-32(26)18-24(34)29-21-10-12-22(13-11-21)31-15-6-7-16-31/h3-5,8-13,26H,6-7,14-18H2,1-2H3,(H,28,35)(H,29,34)/t26-/m1/s1
InChIKeyZPDVBZZRUYEPIM-AREMUKBSSA-N
XLogP3.20
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide
CID 35878494
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 51924712
(3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 51924714
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazin-2-one
CID 18199936
4-[(4-tert-butylphenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 18207338
(3S)-4-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 8023529
(3R)-4-[2-(2-acetylphenoxy)ethyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 51642928
4-[2-(3,5-dimethylphenoxy)ethyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 18199935
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-propan-2-ylpiperazin-2-one
CID 8023519
(2S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 39977326
2-[[(2S)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51642930
(3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-(2-fluorophenoxy)ethyl]piperazin-2-one
CID 31666134

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 25412951) is 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is ZPDVBZZRUYEPIM-AREMUKBSSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-19-25(20(2)33(30-19)23-8-4-3-5-9-23)26-27(35)28-14-17-32(26)18-24(34)29-21-10-12-22(13-11-21)31-15-6-7-16-31/h3-5,8-13,26H,6-7,14-18H2,1-2H3,(H,28,35)(H,29,34)/t26-/m1/s1.
What are the key properties of 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 472.59 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 25412951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).