1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone

C17H24N2O — CID 63170628

IUPAC1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C17H24N2O/c20-17(15-7-3-1-4-8-15)14-18-12-9-16(13-18)19-10-5-2-6-11-19/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyJNMNDWAIVKKJEC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.43
Rot. Bonds4

About 1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone

1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone (PubChem CID 63170628) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
PubChem CID63170628
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(N2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C17H24N2O/c20-17(15-7-3-1-4-8-15)14-18-12-9-16(13-18)19-10-5-2-6-11-19/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyJNMNDWAIVKKJEC-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170716
1-(4-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170265
1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170629
1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one
CID 69351372
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
1-(4-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170407
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-phenylbutan-1-one
CID 63151034
2-phenacyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863471
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(4-methoxyphenyl)ethanone
CID 63151115
1-(2-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170720
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(3,4-dihydroxyphenyl)ethanone
CID 79917562

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone (CID 63170628) is 1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone is O=C(CN1CCC(N2CCCCC2)C1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
The InChIKey is JNMNDWAIVKKJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(15-7-3-1-4-8-15)14-18-12-9-16(13-18)19-10-5-2-6-11-19/h1,3-4,7-8,16H,2,5-6,9-14H2.
What are the key properties of 1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone?
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 63170628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).