2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one

C17H25N3O — CID 63166900

IUPAC2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H25N3O/c18-16(12-14-6-2-1-3-7-14)17(21)20-11-8-15(13-20)19-9-4-5-10-19/h1-3,6-7,15-16H,4-5,8-13,18H2
InChIKeyFNXQJPOOIVNPHD-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.25
Rot. Bonds4

About 2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one

2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 63166900) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
PubChem CID63166900
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H25N3O/c18-16(12-14-6-2-1-3-7-14)17(21)20-11-8-15(13-20)19-9-4-5-10-19/h1-3,6-7,15-16H,4-5,8-13,18H2
InChIKeyFNXQJPOOIVNPHD-UHFFFAOYSA-N
XLogP1.25
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63166896
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
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(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-phenyl-2-sulfanylpropan-1-one
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2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 68710822
2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 63167118
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one (CID 63166900) is 2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one is NC(Cc1ccccc1)C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is FNXQJPOOIVNPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-16(12-14-6-2-1-3-7-14)17(21)20-11-8-15(13-20)19-9-4-5-10-19/h1-3,6-7,15-16H,4-5,8-13,18H2.
What are the key properties of 2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 287.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 63166900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).