2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide

C24H37N3O2 — CID 24719942

IUPAC2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCC(C)CC(=O)N1CCN(C(C(=O)NCCc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C24H37N3O2/c1-19(2)18-22(28)26-14-16-27(17-15-26)23(21-10-6-7-11-21)24(29)25-13-12-20-8-4-3-5-9-20/h3-5,8-9,19,21,23H,6-7,10-18H2,1-2H3,(H,25,29)
InChIKeyYJWRORCAZHLBAQ-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.09
Rot. Bonds8

About 2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide

2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 24719942) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID24719942
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCC(C)CC(=O)N1CCN(C(C(=O)NCCc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C24H37N3O2/c1-19(2)18-22(28)26-14-16-27(17-15-26)23(21-10-6-7-11-21)24(29)25-13-12-20-8-4-3-5-9-20/h3-5,8-9,19,21,23H,6-7,10-18H2,1-2H3,(H,25,29)
InChIKeyYJWRORCAZHLBAQ-UHFFFAOYSA-N
XLogP3.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 93209356
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 93209412
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210620
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 93210379
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331
4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027240
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 93209571
(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210063
2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 42842454
2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 42843600
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842706

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (CID 24719942) is 2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide is CC(C)CC(=O)N1CCN(C(C(=O)NCCc2ccccc2)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is YJWRORCAZHLBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-19(2)18-22(28)26-14-16-27(17-15-26)23(21-10-6-7-11-21)24(29)25-13-12-20-8-4-3-5-9-20/h3-5,8-9,19,21,23H,6-7,10-18H2,1-2H3,(H,25,29).
What are the key properties of 2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 399.58 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 24719942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).