(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride

C16H23ClN2O — CID 119698902

IUPAC(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCCC2c2ccccc2)C1
InChIInChI=1S/C16H22N2O.ClH/c17-14-9-8-13(11-14)16(19)18-10-4-7-15(18)12-5-2-1-3-6-12;/h1-3,5-6,13-15H,4,7-11,17H2;1H
InChIKeyWIKUNMGKHVRZLL-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.90
Rot. Bonds2

About (3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride

(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119698902) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119698902
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCCC2c2ccccc2)C1
InChIInChI=1S/C16H22N2O.ClH/c17-14-9-8-13(11-14)16(19)18-10-4-7-15(18)12-5-2-1-3-6-12;/h1-3,5-6,13-15H,4,7-11,17H2;1H
InChIKeyWIKUNMGKHVRZLL-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 119785073
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119727217
(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119771459
(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119807327
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119785074
(3-aminocyclopentyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 119877945
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119687293
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78982970
[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 125135133

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride (CID 119698902) is (3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride is Cl.NC1CCC(C(=O)N2CCCC2c2ccccc2)C1.
What is the InChIKey of (3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is WIKUNMGKHVRZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c17-14-9-8-13(11-14)16(19)18-10-4-7-15(18)12-5-2-1-3-6-12;/h1-3,5-6,13-15H,4,7-11,17H2;1H.
What are the key properties of (3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride?
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119698902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).