4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one

C18H24N2O2 — CID 136514886

IUPAC4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one
SMILESO=C1CC(C(=O)N2CCCC(Cc3ccccc3)C2)CCN1
InChIInChI=1S/C18H24N2O2/c21-17-12-16(8-9-19-17)18(22)20-10-4-7-15(13-20)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,21)
InChIKeyQEHHCYDUXNEVIV-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.99
Rot. Bonds3

About 4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one

4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one (PubChem CID 136514886) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one
PubChem CID136514886
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one
SMILESO=C1CC(C(=O)N2CCCC(Cc3ccccc3)C2)CCN1
InChIInChI=1S/C18H24N2O2/c21-17-12-16(8-9-19-17)18(22)20-10-4-7-15(13-20)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,21)
InChIKeyQEHHCYDUXNEVIV-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119320187
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652412
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120745684
1-(1-benzylpiperidine-3-carbonyl)-1,4-diazepan-5-one
CID 56821816
cis-(1R,2S)-2-[(3R)-3-benzylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131885
[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
CID 124777626
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110633189
(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119725012

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one (CID 136514886) is 4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one is O=C1CC(C(=O)N2CCCC(Cc3ccccc3)C2)CCN1.
What is the InChIKey of 4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one?
The InChIKey is QEHHCYDUXNEVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17-12-16(8-9-19-17)18(22)20-10-4-7-15(13-20)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,21).
What are the key properties of 4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one?
4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one has a molecular weight of 300.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 136514886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).