[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone

C19H25N3O — CID 146407864

IUPAC[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCNCCc1ccc2cc(C(=O)N3CCN(C)CC3)ccc2c1
InChIInChI=1S/C19H25N3O/c1-20-8-7-15-3-4-17-14-18(6-5-16(17)13-15)19(23)22-11-9-21(2)10-12-22/h3-6,13-14,20H,7-12H2,1-2H3
InChIKeyZBMAZVZZAACXLF-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.99
Rot. Bonds4

About [6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone

[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 146407864) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID146407864
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCNCCc1ccc2cc(C(=O)N3CCN(C)CC3)ccc2c1
InChIInChI=1S/C19H25N3O/c1-20-8-7-15-3-4-17-14-18(6-5-16(17)13-15)19(23)22-11-9-21(2)10-12-22/h3-6,13-14,20H,7-12H2,1-2H3
InChIKeyZBMAZVZZAACXLF-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[2-(methylamino)ethyl]naphthalen-2-yl]-piperazin-1-ylmethanone
CID 146407856
2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
CID 146403454
(4-methylpiperazin-1-yl)-[6-[2-(quinazolin-4-ylamino)ethyl]naphthalen-2-yl]methanone
CID 175723152
[6-[2-[(6-iodoquinolin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 164711582
[6-[2-[(6-iodoquinazolin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 162343380
4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]-1,7-naphthyridine-6-carbonitrile
CID 151453562
4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinazoline-6-carbonitrile;dihydrochloride
CID 142770728
[6-[2-[(6-isocyano-1,8-naphthyridin-4-yl)amino]ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 164711599
N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55725492
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046103

Frequently Asked Questions

What is the IUPAC name of [6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 146407864) is [6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone is CNCCc1ccc2cc(C(=O)N3CCN(C)CC3)ccc2c1.
What is the InChIKey of [6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZBMAZVZZAACXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-20-8-7-15-3-4-17-14-18(6-5-16(17)13-15)19(23)22-11-9-21(2)10-12-22/h3-6,13-14,20H,7-12H2,1-2H3.
What are the key properties of [6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone?
[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 146407864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).