1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone

C18H23NO2 — CID 95334900

IUPAC1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC[C@H]2C2CCCC2)cc1
InChIInChI=1S/C18H23NO2/c1-13(20)14-8-10-16(11-9-14)18(21)19-12-4-7-17(19)15-5-2-3-6-15/h8-11,15,17H,2-7,12H2,1H3/t17-/m0/s1
InChIKeyLAGHDTNUIVPRKI-KRWDZBQOSA-N
MW285.39 g/mol
LogP3.68
Rot. Bonds3

About 1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone

1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone (PubChem CID 95334900) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
PubChem CID95334900
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCC[C@H]2C2CCCC2)cc1
InChIInChI=1S/C18H23NO2/c1-13(20)14-8-10-16(11-9-14)18(21)19-12-4-7-17(19)15-5-2-3-6-15/h8-11,15,17H,2-7,12H2,1H3/t17-/m0/s1
InChIKeyLAGHDTNUIVPRKI-KRWDZBQOSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-aminophenyl)methanone
CID 90935623
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-sulfanylphenyl)methanone
CID 107031199
4-[(2S)-2-cyclobutylpyrrolidine-1-carbonyl]benzoic acid
CID 124701022
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)benzoic acid
CID 81360754
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-(aminomethyl)phenyl]methanone
CID 43627930
(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
CID 110871773
(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951831
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]ethanone
CID 102726719
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111540435
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-N-methoxybenzenesulfonamide
CID 97195759

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone (CID 95334900) is 1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone is CC(=O)c1ccc(C(=O)N2CCC[C@H]2C2CCCC2)cc1.
What is the InChIKey of 1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone?
The InChIKey is LAGHDTNUIVPRKI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(20)14-8-10-16(11-9-14)18(21)19-12-4-7-17(19)15-5-2-3-6-15/h8-11,15,17H,2-7,12H2,1H3/t17-/m0/s1.
What are the key properties of 1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone?
1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone has a molecular weight of 285.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 95334900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).