N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide

C17H21N3O2 — CID 11011997

IUPACN-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide
SMILESCOc1ccc2cccc(NC(=O)N3CCN(C)CC3)c2c1
InChIInChI=1S/C17H21N3O2/c1-19-8-10-20(11-9-19)17(21)18-16-5-3-4-13-6-7-14(22-2)12-15(13)16/h3-7,12H,8-11H2,1-2H3,(H,18,21)
InChIKeyPLRWBZGVLKJENX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.63
Rot. Bonds2

About N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide

N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide (PubChem CID 11011997) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide
PubChem CID11011997
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide
SMILESCOc1ccc2cccc(NC(=O)N3CCN(C)CC3)c2c1
InChIInChI=1S/C17H21N3O2/c1-19-8-10-20(11-9-19)17(21)18-16-5-3-4-13-6-7-14(22-2)12-15(13)16/h3-7,12H,8-11H2,1-2H3,(H,18,21)
InChIKeyPLRWBZGVLKJENX-UHFFFAOYSA-N
XLogP2.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide
CID 90670904
4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 115411987
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3640517
4-(4-methoxyphenyl)-3-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 5005350
2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 56799660
N-(2,3-dichlorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184568
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3578565

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide (CID 11011997) is N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide is COc1ccc2cccc(NC(=O)N3CCN(C)CC3)c2c1.
What is the InChIKey of N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide?
The InChIKey is PLRWBZGVLKJENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19-8-10-20(11-9-19)17(21)18-16-5-3-4-13-6-7-14(22-2)12-15(13)16/h3-7,12H,8-11H2,1-2H3,(H,18,21).
What are the key properties of N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide?
N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 11011997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).