1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one

C21H32N2O — CID 69351372

IUPAC1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one
SMILESO=C(CCCCN1CCC(N2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H32N2O/c24-21(19-9-3-1-4-10-19)11-5-8-14-22-17-12-20(13-18-22)23-15-6-2-7-16-23/h1,3-4,9-10,20H,2,5-8,11-18H2
InChIKeyGFWBGFRWAMGZQK-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.99
Rot. Bonds7

About 1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one

1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one (PubChem CID 69351372) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one
PubChem CID69351372
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one
SMILESO=C(CCCCN1CCC(N2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C21H32N2O/c24-21(19-9-3-1-4-10-19)11-5-8-14-22-17-12-20(13-18-22)23-15-6-2-7-16-23/h1,3-4,9-10,20H,2,5-8,11-18H2
InChIKeyGFWBGFRWAMGZQK-UHFFFAOYSA-N
XLogP3.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
CID 166604154
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-phenylbutan-1-one
CID 63151034
1-phenyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170628
1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea
CID 12940306
4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one
CID 110398502
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
phenyl-(4-piperidin-1-ylcyclohexyl)methanone
CID 25984
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
1-(4-ethynylphenyl)-5-piperidin-1-ylpentan-1-one
CID 158323866

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one (CID 69351372) is 1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one is O=C(CCCCN1CCC(N2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one?
The InChIKey is GFWBGFRWAMGZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c24-21(19-9-3-1-4-10-19)11-5-8-14-22-17-12-20(13-18-22)23-15-6-2-7-16-23/h1,3-4,9-10,20H,2,5-8,11-18H2.
What are the key properties of 1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one?
1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one has a molecular weight of 328.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 69351372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).