1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride

C20H25ClN2O — CID 119411312

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)CC(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H24N2O.ClH/c21-19-11-12-22(15-19)20(23)14-18(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16;/h1-10,18-19H,11-15,21H2;1H/t18?,19-;/m1./s1
InChIKeyRYIQGZASOUCAIB-SQTGWKPBSA-N
MW344.89 g/mol
LogP3.38
Rot. Bonds5

About 1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride

1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride (PubChem CID 119411312) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
PubChem CID119411312
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)CC(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H24N2O.ClH/c21-19-11-12-22(15-19)20(23)14-18(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16;/h1-10,18-19H,11-15,21H2;1H/t18?,19-;/m1./s1
InChIKeyRYIQGZASOUCAIB-SQTGWKPBSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid
CID 119178891
1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one
CID 119396870
(3S)-1-(3,4-diphenylbutanoyl)piperidine-3-carboxylic acid
CID 119174340
1-[(3R)-3-aminopyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119411236
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119411136
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119410927
benzyl N-[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamate;hydrochloride
CID 126843068
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride
CID 120809772
(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119364861

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride (CID 119411312) is 1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride is Cl.N[C@@H]1CCN(C(=O)CC(Cc2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride?
The InChIKey is RYIQGZASOUCAIB-SQTGWKPBSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c21-19-11-12-22(15-19)20(23)14-18(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16;/h1-10,18-19H,11-15,21H2;1H/t18?,19-;/m1./s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride?
1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-3,4-diphenylbutan-1-one;hydrochloride is sourced from PubChem (CID 119411312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).