benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate

C18H29N3O2 — CID 112504938

IUPACbenzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate
SMILESCCN1CCN(C(C)(C)CNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-4-20-10-12-21(13-11-20)18(2,3)15-19-17(22)23-14-16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3,(H,19,22)
InChIKeyMGIWMRNDKLGWQT-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.33
Rot. Bonds6

About benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate

benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate (PubChem CID 112504938) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate
PubChem CID112504938
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Namebenzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate
SMILESCCN1CCN(C(C)(C)CNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-4-20-10-12-21(13-11-20)18(2,3)15-19-17(22)23-14-16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3,(H,19,22)
InChIKeyMGIWMRNDKLGWQT-UHFFFAOYSA-N
XLogP2.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]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-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-(2-ethyl-2-hydroxybutyl)carbamate
CID 65112360
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
benzyl N-(2-isocyano-2-methylpropyl)carbamate
CID 66524050
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
benzyl N-(4-bromo-2-ethyl-2-methyl-3-oxobutyl)carbamate
CID 104701872
benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
CID 68594622
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropane-1-sulfonamide
CID 112504986

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate?
The IUPAC name of benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate (CID 112504938) is benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate?
The canonical SMILES for benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate is CCN1CCN(C(C)(C)CNC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate?
The InChIKey is MGIWMRNDKLGWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-20-10-12-21(13-11-20)18(2,3)15-19-17(22)23-14-16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3,(H,19,22).
What are the key properties of benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate?
benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 112504938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).