methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate

C15H22ClN3O2 — CID 112504723

IUPACmethyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
SMILESCOC(=O)NCC(c1ccccc1Cl)N1CCN(C)CC1
InChIInChI=1S/C15H22ClN3O2/c1-18-7-9-19(10-8-18)14(11-17-15(20)21-2)12-5-3-4-6-13(12)16/h3-6,14H,7-11H2,1-2H3,(H,17,20)
InChIKeyGHILKZGHPPTTPL-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.98
Rot. Bonds4

About methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate

methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate (PubChem CID 112504723) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
PubChem CID112504723
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Namemethyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
SMILESCOC(=O)NCC(c1ccccc1Cl)N1CCN(C)CC1
InChIInChI=1S/C15H22ClN3O2/c1-18-7-9-19(10-8-18)14(11-17-15(20)21-2)12-5-3-4-6-13(12)16/h3-6,14H,7-11H2,1-2H3,(H,17,20)
InChIKeyGHILKZGHPPTTPL-UHFFFAOYSA-N
XLogP1.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate 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-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 112504694
1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea
CID 110303042
ethyl 2-[[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504722
3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 112504717
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 112504693
1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
CID 67966584
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate
CID 112504673
tert-butyl 4-[2-acetamido-1-(2-chlorophenyl)ethyl]piperazine-1-carboxylate
CID 58786608
2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445553
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate (CID 112504723) is methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate is COC(=O)NCC(c1ccccc1Cl)N1CCN(C)CC1.
What is the InChIKey of methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is GHILKZGHPPTTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-18-7-9-19(10-8-18)14(11-17-15(20)21-2)12-5-3-4-6-13(12)16/h3-6,14H,7-11H2,1-2H3,(H,17,20).
What are the key properties of methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate?
methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 311.81 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 112504723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).