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

C17H25ClN2O — CID 119725013

IUPAC(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCCC1C(=O)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O.ClH/c18-16-8-4-7-15(16)17(20)19-10-9-14(12-19)11-13-5-2-1-3-6-13;/h1-3,5-6,14-16H,4,7-12,18H2;1H
InChIKeyQIAVCNZAHLFIOF-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.63
Rot. Bonds3

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

(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119725013) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119725013
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCCC1C(=O)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O.ClH/c18-16-8-4-7-15(16)17(20)19-10-9-14(12-19)11-13-5-2-1-3-6-13;/h1-3,5-6,14-16H,4,7-12,18H2;1H
InChIKeyQIAVCNZAHLFIOF-UHFFFAOYSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
CID 124777626
[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 124699470
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
cis-(1R,2S)-2-[(3R)-3-benzylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131885
[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59102662
(2-aminocyclopentyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624969
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone
CID 125146424
(2-aminocyclopentyl)-(3-propylpyrrolidin-1-yl)methanone
CID 115739353
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride (CID 119725013) is (2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride is Cl.NC1CCCC1C(=O)N1CCC(Cc2ccccc2)C1.
What is the InChIKey of (2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is QIAVCNZAHLFIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c18-16-8-4-7-15(16)17(20)19-10-9-14(12-19)11-13-5-2-1-3-6-13;/h1-3,5-6,14-16H,4,7-12,18H2;1H.
What are the key properties of (2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride?
(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119725013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).