N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide

C19H25N3O2 — CID 90670904

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCOc1ccc2cccc(CCNC(=O)N3CCN(C)CC3)c2c1
InChIInChI=1S/C19H25N3O2/c1-21-10-12-22(13-11-21)19(23)20-9-8-16-5-3-4-15-6-7-17(24-2)14-18(15)16/h3-7,14H,8-13H2,1-2H3,(H,20,23)
InChIKeyGRDMMXFXACGSOC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide

N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide (PubChem CID 90670904) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide
PubChem CID90670904
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCOc1ccc2cccc(CCNC(=O)N3CCN(C)CC3)c2c1
InChIInChI=1S/C19H25N3O2/c1-21-10-12-22(13-11-21)19(23)20-9-8-16-5-3-4-15-6-7-17(24-2)14-18(15)16/h3-7,14H,8-13H2,1-2H3,(H,20,23)
InChIKeyGRDMMXFXACGSOC-UHFFFAOYSA-N
XLogP2.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide 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

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide
CID 11011997
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
5-bromo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]pentanamide
CID 19021866
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
1-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-methylthiourea
CID 19385775
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-(7-methoxynaphthalen-1-yl)ethyl]furan-2-carboxamide
CID 44581533
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 57250366
4-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109057

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide (CID 90670904) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide is COc1ccc2cccc(CCNC(=O)N3CCN(C)CC3)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is GRDMMXFXACGSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21-10-12-22(13-11-21)19(23)20-9-8-16-5-3-4-15-6-7-17(24-2)14-18(15)16/h3-7,14H,8-13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 90670904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).