2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide

C27H35N3O2 — CID 42843600

IUPAC2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C27H35N3O2/c1-21-8-7-13-24(20-21)28-27(32)26(23-11-5-6-12-23)30-18-16-29(17-19-30)25(31)15-14-22-9-3-2-4-10-22/h2-4,7-10,13,20,23,26H,5-6,11-12,14-19H2,1H3,(H,28,32)
InChIKeyVEUVEMYSDLALHT-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.27
Rot. Bonds7

About 2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide

2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 42843600) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
PubChem CID42843600
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C27H35N3O2/c1-21-8-7-13-24(20-21)28-27(32)26(23-11-5-6-12-23)30-18-16-29(17-19-30)25(31)15-14-22-9-3-2-4-10-22/h2-4,7-10,13,20,23,26H,5-6,11-12,14-19H2,1H3,(H,28,32)
InChIKeyVEUVEMYSDLALHT-UHFFFAOYSA-N
XLogP4.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 93221771
(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210620
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210063
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93210582
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
CID 93221756
ethyl 4-[4-[(1R)-1-cyclopentyl-2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-4-oxobutanoate
CID 93221962
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 93209412
(2S)-2-cyclopentyl-N-[(3-methylphenyl)methyl]-2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]acetamide
CID 93210382
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 93210379
(2S)-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 93221957

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide (CID 42843600) is 2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide is Cc1cccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)CCc3ccccc3)CC2)c1.
What is the InChIKey of 2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is VEUVEMYSDLALHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-21-8-7-13-24(20-21)28-27(32)26(23-11-5-6-12-23)30-18-16-29(17-19-30)25(31)15-14-22-9-3-2-4-10-22/h2-4,7-10,13,20,23,26H,5-6,11-12,14-19H2,1H3,(H,28,32).
What are the key properties of 2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 433.60 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 42843600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).