[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride

C22H26ClNO — CID 161457507

IUPAC[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.O=C([C@H]1CC[C@@H](c2ccccc2)C1)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C22H25NO.ClH/c24-22(20-12-11-19(15-20)17-7-3-1-4-8-17)23-14-13-21(16-23)18-9-5-2-6-10-18;/h1-10,19-21H,11-16H2;1H/t19-,20+,21+;/m1./s1
InChIKeyBSOUCINTKMDCHW-CCXMUWKTSA-N
MW355.91 g/mol
LogP5.01
Rot. Bonds3

About [(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride

[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 161457507) has the molecular formula C22H26ClNO and a molecular weight of 355.91 g/mol. Its IUPAC name is [(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
PubChem CID161457507
Molecular FormulaC22H26ClNO
Molecular Weight355.91 g/mol
Exact Mass355.17
IUPAC Name[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.O=C([C@H]1CC[C@@H](c2ccccc2)C1)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C22H25NO.ClH/c24-22(20-12-11-19(15-20)17-7-3-1-4-8-17)23-14-13-21(16-23)18-9-5-2-6-10-18;/h1-10,19-21H,11-16H2;1H/t19-,20+,21+;/m1./s1
InChIKeyBSOUCINTKMDCHW-CCXMUWKTSA-N
XLogP5.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341
(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119724972
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 110014366
1-[(1S,3S)-3-phenylcyclopentanecarbonyl]pyrrolidine-2-carboxylic acid
CID 164641131
5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688432
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone
CID 46967384
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119540404

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of [(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride (CID 161457507) is [(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride is Cl.O=C([C@H]1CC[C@@H](c2ccccc2)C1)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of [(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is BSOUCINTKMDCHW-CCXMUWKTSA-N. The full InChI is InChI=1S/C22H25NO.ClH/c24-22(20-12-11-19(15-20)17-7-3-1-4-8-17)23-14-13-21(16-23)18-9-5-2-6-10-18;/h1-10,19-21H,11-16H2;1H/t19-,20+,21+;/m1./s1.
What are the key properties of [(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride?
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 161457507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).