methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate

C17H25N3O2 — CID 54547751

IUPACmethyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate
SMILESCNC1CCc2cccc(N3CCN(C(=O)OC)CC3)c2C1
InChIInChI=1S/C17H25N3O2/c1-18-14-7-6-13-4-3-5-16(15(13)12-14)19-8-10-20(11-9-19)17(21)22-2/h3-5,14,18H,6-12H2,1-2H3
InChIKeyZHSZTAFRKSAJSR-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.65
Rot. Bonds2

About methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate

methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate (PubChem CID 54547751) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate
PubChem CID54547751
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namemethyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate
SMILESCNC1CCc2cccc(N3CCN(C(=O)OC)CC3)c2C1
InChIInChI=1S/C17H25N3O2/c1-18-14-7-6-13-4-3-5-16(15(13)12-14)19-8-10-20(11-9-19)17(21)22-2/h3-5,14,18H,6-12H2,1-2H3
InChIKeyZHSZTAFRKSAJSR-UHFFFAOYSA-N
XLogP1.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate 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-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide
CID 54468521
2-methyl-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54135218
2-methyl-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475786
methyl 4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]-1,4-diazepane-1-carboxylate
CID 95299227
4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475734
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide
CID 54551314
[4-[[(2S)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25055227
4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54131278
tert-butyl 4-(1,2,3,4-tetrahydroisoquinolin-8-yl)piperazine-1-carboxylate
CID 21070954
methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
CID 113076502
N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide
CID 74422312

Frequently Asked Questions

What is the IUPAC name of methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate (CID 54547751) is methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate is CNC1CCc2cccc(N3CCN(C(=O)OC)CC3)c2C1.
What is the InChIKey of methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate?
The InChIKey is ZHSZTAFRKSAJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18-14-7-6-13-4-3-5-16(15(13)12-14)19-8-10-20(11-9-19)17(21)22-2/h3-5,14,18H,6-12H2,1-2H3.
What are the key properties of methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate?
methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[7-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine-1-carboxylate is sourced from PubChem (CID 54547751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).