(2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide

C21H27N5O2 — CID 97455455

IUPAC(2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)n(C2CCCC2)n1
InChIInChI=1S/C21H27N5O2/c1-15-13-19(26(24-15)17-9-5-6-10-17)23-21(28)25-12-11-22-20(27)18(25)14-16-7-3-2-4-8-16/h2-4,7-8,13,17-18H,5-6,9-12,14H2,1H3,(H,22,27)(H,23,28)/t18-/m0/s1
InChIKeyDRAXXVRTZMJSNV-SFHVURJKSA-N
MW381.48 g/mol
LogP2.88
Rot. Bonds4

About (2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide

(2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 97455455) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
PubChem CID97455455
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)n(C2CCCC2)n1
InChIInChI=1S/C21H27N5O2/c1-15-13-19(26(24-15)17-9-5-6-10-17)23-21(28)25-12-11-22-20(27)18(25)14-16-7-3-2-4-8-16/h2-4,7-8,13,17-18H,5-6,9-12,14H2,1H3,(H,22,27)(H,23,28)/t18-/m0/s1
InChIKeyDRAXXVRTZMJSNV-SFHVURJKSA-N
XLogP2.88
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide
CID 72933841
2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 74240827
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
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2-benzyl-3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
CID 72938535
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 155523538
(2S)-N-[2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 125166531
(2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide
CID 97444169
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
3-benzyl-4-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazin-2-one
CID 74241317
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide (CID 97455455) is (2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide is Cc1cc(NC(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)n(C2CCCC2)n1.
What is the InChIKey of (2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is DRAXXVRTZMJSNV-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-13-19(26(24-15)17-9-5-6-10-17)23-21(28)25-12-11-22-20(27)18(25)14-16-7-3-2-4-8-16/h2-4,7-8,13,17-18H,5-6,9-12,14H2,1H3,(H,22,27)(H,23,28)/t18-/m0/s1.
What are the key properties of (2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide?
(2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 97455455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).