2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone

C17H24N2O — CID 62133775

IUPAC2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(CNC1CCCC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H24N2O/c20-17(12-18-16-8-4-5-9-16)19-11-10-15(13-19)14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2
InChIKeyQPJCBKHRHOPUPS-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.53
Rot. Bonds4

About 2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone

2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone (PubChem CID 62133775) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
PubChem CID62133775
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
SMILESO=C(CNC1CCCC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H24N2O/c20-17(12-18-16-8-4-5-9-16)19-11-10-15(13-19)14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2
InChIKeyQPJCBKHRHOPUPS-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-1-(2-phenylmorpholin-4-yl)ethanone
CID 60963934
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
2-(cyclopentylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 94896155
3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 126796221
2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide
CID 60605411
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
4-oxo-4-(3-phenylpyrrolidin-1-yl)but-2-enoic acid
CID 74894511
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 107839602
2-[2-oxo-2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 784159

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone (CID 62133775) is 2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone is O=C(CNC1CCCC1)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is QPJCBKHRHOPUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(12-18-16-8-4-5-9-16)19-11-10-15(13-19)14-6-2-1-3-7-14/h1-3,6-7,15-16,18H,4-5,8-13H2.
What are the key properties of 2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone?
2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62133775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).