6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C24H26N2O2 — CID 110384292

IUPAC6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESO=C(c1cc2c3c(c1)CC(=O)N3CCC2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H26N2O2/c27-22-16-20-15-21(14-19-7-4-10-26(22)23(19)20)24(28)25-11-8-18(9-12-25)13-17-5-2-1-3-6-17/h1-3,5-6,14-15,18H,4,7-13,16H2
InChIKeyDEIAJJGGYQSEQR-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.62
Rot. Bonds3

About 6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 110384292) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID110384292
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESO=C(c1cc2c3c(c1)CC(=O)N3CCC2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H26N2O2/c27-22-16-20-15-21(14-19-7-4-10-26(22)23(19)20)24(28)25-11-8-18(9-12-25)13-17-5-2-1-3-6-17/h1-3,5-6,14-15,18H,4,7-13,16H2
InChIKeyDEIAJJGGYQSEQR-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one with MolForge

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Related Compounds

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521039
7-(azepane-1-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 110384168
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164898776
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 110384292) is 6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for 6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for 6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is O=C(c1cc2c3c(c1)CC(=O)N3CCC2)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is DEIAJJGGYQSEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-22-16-20-15-21(14-19-7-4-10-26(22)23(19)20)24(28)25-11-8-18(9-12-25)13-17-5-2-1-3-6-17/h1-3,5-6,14-15,18H,4,7-13,16H2.
What are the key properties of 6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 374.48 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 110384292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).