4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide

C26H34N4O2 — CID 46027235

IUPAC4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide
SMILESCC(NC(=O)C(C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H34N4O2/c1-20(21-10-4-2-5-11-21)27-25(31)24(22-12-8-9-13-22)29-16-18-30(19-17-29)26(32)28-23-14-6-3-7-15-23/h2-7,10-11,14-15,20,22,24H,8-9,12-13,16-19H2,1H3,(H,27,31)(H,28,32)
InChIKeyUILXMGNRIVPOCE-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.27
Rot. Bonds6

About 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide

4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 46027235) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide
PubChem CID46027235
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide
SMILESCC(NC(=O)C(C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H34N4O2/c1-20(21-10-4-2-5-11-21)27-25(31)24(22-12-8-9-13-22)29-16-18-30(19-17-29)26(32)28-23-14-6-3-7-15-23/h2-7,10-11,14-15,20,22,24H,8-9,12-13,16-19H2,1H3,(H,27,31)(H,28,32)
InChIKeyUILXMGNRIVPOCE-UHFFFAOYSA-N
XLogP4.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide with MolForge

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Related Compounds

(2R)-2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93209177
methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate
CID 42842519
2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 42842520
4-[(1S)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221214
2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842497
4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221209
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide
CID 42842510
N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide
CID 112818881
4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 93221257
2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46027567
(2S)-2-cyclopentyl-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 93222013
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 46027426

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide (CID 46027235) is 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide is CC(NC(=O)C(C1CCCC1)N1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is UILXMGNRIVPOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-20(21-10-4-2-5-11-21)27-25(31)24(22-12-8-9-13-22)29-16-18-30(19-17-29)26(32)28-23-14-6-3-7-15-23/h2-7,10-11,14-15,20,22,24H,8-9,12-13,16-19H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide?
4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 46027235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).