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

C17H24N2O — CID 115994624

IUPAC1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H24N2O/c1-2-17(20)15-7-3-4-8-16(15)19-12-9-14(13-19)18-10-5-6-11-18/h3-4,7-8,14H,2,5-6,9-13H2,1H3
InChIKeyYXESCIWNEABJSP-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.95
Rot. Bonds4

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

1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one (PubChem CID 115994624) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one
PubChem CID115994624
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H24N2O/c1-2-17(20)15-7-3-4-8-16(15)19-12-9-14(13-19)18-10-5-6-11-18/h3-4,7-8,14H,2,5-6,9-13H2,1H3
InChIKeyYXESCIWNEABJSP-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one
CID 115994623
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one
CID 114678912
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 114798027
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 79938702
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one
CID 112677439
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol
CID 63170127
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170469
1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 55160329
1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one
CID 112677458
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one?
The IUPAC name of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one (CID 115994624) is 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one is CCC(=O)c1ccccc1N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one?
The InChIKey is YXESCIWNEABJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-17(20)15-7-3-4-8-16(15)19-12-9-14(13-19)18-10-5-6-11-18/h3-4,7-8,14H,2,5-6,9-13H2,1H3.
What are the key properties of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one?
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 115994624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).