(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone

C17H20N2O — CID 63910984

IUPAC(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
SMILESCC1CNCC(C)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O/c1-12-10-18-11-13(2)19(12)17(20)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyIQKWEWLGCWJKJC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.66
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone

(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone (PubChem CID 63910984) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
PubChem CID63910984
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone
SMILESCC1CNCC(C)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O/c1-12-10-18-11-13(2)19(12)17(20)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyIQKWEWLGCWJKJC-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone 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

(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393
(3-chloro-2-methylphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 107098174
(2,6-dimethylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 63909598
(2,6-dimethylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 59376260
(3-chloro-2-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 81265442
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-naphthalen-1-ylmethanone
CID 43594720
(2,6-dimethylpiperazin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 63909603
(2,6-dimethylpiperazin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103120779
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
(2,6-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103806814
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone (CID 63910984) is (2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone is CC1CNCC(C)N1C(=O)c1cccc2ccccc12.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is IQKWEWLGCWJKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-10-18-11-13(2)19(12)17(20)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,12-13,18H,10-11H2,1-2H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone?
(2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 268.36 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 63910984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).