3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride

C23H25ClN2O — CID 119950579

IUPAC3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCl.NC(CC(=O)N1CCCC1c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H24N2O.ClH/c24-21(18-9-2-1-3-10-18)16-23(26)25-15-7-14-22(25)20-13-6-11-17-8-4-5-12-19(17)20;/h1-6,8-13,21-22H,7,14-16,24H2;1H
InChIKeySQXXVOCZSIIVBV-UHFFFAOYSA-N
MW380.92 g/mol
LogP5.02
Rot. Bonds4

About 3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride

3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119950579) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119950579
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCl.NC(CC(=O)N1CCCC1c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H24N2O.ClH/c24-21(18-9-2-1-3-10-18)16-23(26)25-15-7-14-22(25)20-13-6-11-17-8-4-5-12-19(17)20;/h1-6,8-13,21-22H,7,14-16,24H2;1H
InChIKeySQXXVOCZSIIVBV-UHFFFAOYSA-N
XLogP5.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
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CID 119949824
3-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107217788
(3R)-3-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124700162
(3S)-3-amino-1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124702264
3-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
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1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
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1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
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(3R)-3-amino-1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
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2-(1,4-dihydroxycyclohexyl)-1-(2-naphthalen-1-ylpyrrolidin-1-yl)ethanone
CID 166218782
[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95587901
4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride (CID 119950579) is 3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride is Cl.NC(CC(=O)N1CCCC1c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is SQXXVOCZSIIVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O.ClH/c24-21(18-9-2-1-3-10-18)16-23(26)25-15-7-14-22(25)20-13-6-11-17-8-4-5-12-19(17)20;/h1-6,8-13,21-22H,7,14-16,24H2;1H.
What are the key properties of 3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119950579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).