1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane

C21H28N2O — CID 87338963

IUPAC1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane
SMILESC.O=C(Cc1cccc2ccccc12)N1CCN2CCCC(C2)C1
InChIInChI=1S/C20H24N2O.CH4/c23-20(22-12-11-21-10-4-5-16(14-21)15-22)13-18-8-3-7-17-6-1-2-9-19(17)18;/h1-3,6-9,16H,4-5,10-15H2;1H4
InChIKeyKHZLJKAFVWKJCF-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.57
Rot. Bonds2

About 1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane

1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane (PubChem CID 87338963) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane
PubChem CID87338963
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane
SMILESC.O=C(Cc1cccc2ccccc12)N1CCN2CCCC(C2)C1
InChIInChI=1S/C20H24N2O.CH4/c23-20(22-12-11-21-10-4-5-16(14-21)15-22)13-18-8-3-7-17-6-1-2-9-19(17)18;/h1-3,6-9,16H,4-5,10-15H2;1H4
InChIKeyKHZLJKAFVWKJCF-UHFFFAOYSA-N
XLogP3.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
CID 90584610
1-(3-bromo-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 102962438
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
CID 119592490
(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082630
N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804112
1-[(4S,9aR)-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-naphthalen-1-ylethanone
CID 134711292
2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
CID 16894712
(3S)-1-(2-naphthalen-1-ylacetyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082667
3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile
CID 54788097
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119379657

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane?
The IUPAC name of 1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane (CID 87338963) is 1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane.
What is the SMILES notation for 1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane?
The canonical SMILES for 1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane is C.O=C(Cc1cccc2ccccc12)N1CCN2CCCC(C2)C1.
What is the InChIKey of 1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane?
The InChIKey is KHZLJKAFVWKJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.CH4/c23-20(22-12-11-21-10-4-5-16(14-21)15-22)13-18-8-3-7-17-6-1-2-9-19(17)18;/h1-3,6-9,16H,4-5,10-15H2;1H4.
What are the key properties of 1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane?
1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane has a molecular weight of 324.47 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane is sourced from PubChem (CID 87338963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).