[6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone

C18H23N3O — CID 146407856

IUPAC[6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone
SMILESCNCCc1ccc2cc(C(=O)N3CCNCC3)ccc2c1
InChIInChI=1S/C18H23N3O/c1-19-7-6-14-2-3-16-13-17(5-4-15(16)12-14)18(22)21-10-8-20-9-11-21/h2-5,12-13,19-20H,6-11H2,1H3
InChIKeyPGJWFUVZUAZLKX-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.65
Rot. Bonds4

About [6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone

[6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone (PubChem CID 146407856) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone
PubChem CID146407856
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone
SMILESCNCCc1ccc2cc(C(=O)N3CCNCC3)ccc2c1
InChIInChI=1S/C18H23N3O/c1-19-7-6-14-2-3-16-13-17(5-4-15(16)12-14)18(22)21-10-8-20-9-11-21/h2-5,12-13,19-20H,6-11H2,1H3
InChIKeyPGJWFUVZUAZLKX-UHFFFAOYSA-N
XLogP1.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 146407864
2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
CID 153338332
isoquinolin-6-yl(piperazin-1-yl)methanone
CID 110485113
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(3-chloro-4-ethylphenyl)-piperazin-1-ylmethanone
CID 82554254
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
2-[4-(piperazine-1-carbonyl)phenyl]acetonitrile
CID 82179229
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534

Frequently Asked Questions

What is the IUPAC name of [6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone (CID 146407856) is [6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone is CNCCc1ccc2cc(C(=O)N3CCNCC3)ccc2c1.
What is the InChIKey of [6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone?
The InChIKey is PGJWFUVZUAZLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-19-7-6-14-2-3-16-13-17(5-4-15(16)12-14)18(22)21-10-8-20-9-11-21/h2-5,12-13,19-20H,6-11H2,1H3.
What are the key properties of [6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone?
[6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone has a molecular weight of 297.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 146407856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).