1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one

C24H35N3O2 — CID 93210582

IUPAC1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN([C@H](C(=O)N2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C24H35N3O2/c28-22(13-12-20-8-2-1-3-9-20)25-16-18-26(19-17-25)23(21-10-4-5-11-21)24(29)27-14-6-7-15-27/h1-3,8-9,21,23H,4-7,10-19H2/t23-/m0/s1
InChIKeyJZBCEZPLWTZLDN-QHCPKHFHSA-N
MW397.56 g/mol
LogP2.94
Rot. Bonds6

About 1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one

1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 93210582) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID93210582
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN([C@H](C(=O)N2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C24H35N3O2/c28-22(13-12-20-8-2-1-3-9-20)25-16-18-26(19-17-25)23(21-10-4-5-11-21)24(29)27-14-6-7-15-27/h1-3,8-9,21,23H,4-7,10-19H2/t23-/m0/s1
InChIKeyJZBCEZPLWTZLDN-QHCPKHFHSA-N
XLogP2.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 154795037
2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 42843600
1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 24719217
ethyl 4-[4-[(1S)-1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 93209412
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 24719942
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075
(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 93209356

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one (CID 93210582) is 1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCN([C@H](C(=O)N2CCCC2)C2CCCC2)CC1.
What is the InChIKey of 1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is JZBCEZPLWTZLDN-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H35N3O2/c28-22(13-12-20-8-2-1-3-9-20)25-16-18-26(19-17-25)23(21-10-4-5-11-21)24(29)27-14-6-7-15-27/h1-3,8-9,21,23H,4-7,10-19H2/t23-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 397.56 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 93210582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).