[(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone

C17H23ClN2O — CID 119411301

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
SMILESN[C@@H]1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1
InChIInChI=1S/C17H23ClN2O/c18-14-5-3-4-13(10-14)11-17(7-1-2-8-17)16(21)20-9-6-15(19)12-20/h3-5,10,15H,1-2,6-9,11-12,19H2/t15-/m1/s1
InChIKeyNCZSRGODUYRTMY-OAHLLOKOSA-N
MW306.84 g/mol
LogP3.00
Rot. Bonds3

About [(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone (PubChem CID 119411301) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
PubChem CID119411301
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
SMILESN[C@@H]1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1
InChIInChI=1S/C17H23ClN2O/c18-14-5-3-4-13(10-14)11-17(7-1-2-8-17)16(21)20-9-6-15(19)12-20/h3-5,10,15H,1-2,6-9,11-12,19H2/t15-/m1/s1
InChIKeyNCZSRGODUYRTMY-OAHLLOKOSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone with MolForge

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Related Compounds

[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623522
[4-(3-aminopropoxy)piperidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone;hydrochloride
CID 119663102
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
CID 120807217
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 119486862
3-[4-[1-[(3-chlorophenyl)methyl]cyclopentanecarbonyl]morpholin-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 167810316
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone
CID 119486633
(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride
CID 155820492
(3S)-3-amino-N-[2-(3-chlorophenyl)ethyl]piperidine-1-carboxamide;hydrochloride
CID 154904649
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
ethyl (3R)-1-(1-acetylpiperidin-4-yl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate
CID 42379039

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone (CID 119411301) is [(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone is N[C@@H]1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone?
The InChIKey is NCZSRGODUYRTMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-14-5-3-4-13(10-14)11-17(7-1-2-8-17)16(21)20-9-6-15(19)12-20/h3-5,10,15H,1-2,6-9,11-12,19H2/t15-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone has a molecular weight of 306.84 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone is sourced from PubChem (CID 119411301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).