1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one

C21H30N2O2 — CID 119699761

IUPAC1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(C(=O)c2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C21H30N2O2/c1-16(17-7-11-22-12-8-17)15-20(24)23-13-9-19(10-14-23)21(25)18-5-3-2-4-6-18/h2-6,16-17,19,22H,7-15H2,1H3
InChIKeyOKFZNDYMRAJYSG-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.13
Rot. Bonds5

About 1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one

1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one (PubChem CID 119699761) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
PubChem CID119699761
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(C(=O)c2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C21H30N2O2/c1-16(17-7-11-22-12-8-17)15-20(24)23-13-9-19(10-14-23)21(25)18-5-3-2-4-6-18/h2-6,16-17,19,22H,7-15H2,1H3
InChIKeyOKFZNDYMRAJYSG-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
N-phenyl-1-(3-piperidin-4-ylbutanoyl)piperidine-4-carboxamide;hydrochloride
CID 119692632
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
1-(4-phenoxypiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119725118
3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119699766
3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one
CID 119787917
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875260
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119710258
1-(4-benzylsulfonylpiperazin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119687248
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119724457
1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one
CID 119768937

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one (CID 119699761) is 1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one is CC(CC(=O)N1CCC(C(=O)c2ccccc2)CC1)C1CCNCC1.
What is the InChIKey of 1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one?
The InChIKey is OKFZNDYMRAJYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16(17-7-11-22-12-8-17)15-20(24)23-13-9-19(10-14-23)21(25)18-5-3-2-4-6-18/h2-6,16-17,19,22H,7-15H2,1H3.
What are the key properties of 1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one?
1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one has a molecular weight of 342.48 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 119699761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).