1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone

C17H24N2O — CID 143437550

IUPAC1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C17H24N2O/c1-14(20)15-4-6-16(7-5-15)19-12-8-17(9-13-19)18-10-2-3-11-18/h4-7,17H,2-3,8-13H2,1H3
InChIKeyVVHXARJZXQZHDA-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.95
Rot. Bonds3

About 1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone

1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone (PubChem CID 143437550) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
PubChem CID143437550
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C17H24N2O/c1-14(20)15-4-6-16(7-5-15)19-12-8-17(9-13-19)18-10-2-3-11-18/h4-7,17H,2-3,8-13H2,1H3
InChIKeyVVHXARJZXQZHDA-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
1-[4-[4-(thian-4-yl)piperazin-1-yl]phenyl]ethanone
CID 91833277
1-[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanone
CID 63150977
1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone
CID 2846303
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
4-(4-piperidin-1-ylpiperidin-1-yl)benzenesulfonic acid
CID 22146992
4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoic acid
CID 69089179
N-(4-acetylphenyl)-4-[5-methyl-2-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 171559336
1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
CID 59545859
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170198

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone (CID 143437550) is 1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCC(N3CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is VVHXARJZXQZHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(20)15-4-6-16(7-5-15)19-12-8-17(9-13-19)18-10-2-3-11-18/h4-7,17H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone?
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 143437550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).