2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate

C18H29N3O3 — CID 54039106

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate
SMILESCOc1ccccc1N1CCN(CCOC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)19-17(22)24-14-13-20-9-11-21(12-10-20)15-7-5-6-8-16(15)23-4/h5-8H,9-14H2,1-4H3,(H,19,22)
InChIKeyLLBNBJRVFJKPON-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.34
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate

2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate (PubChem CID 54039106) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate
PubChem CID54039106
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate
SMILESCOc1ccccc1N1CCN(CCOC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)19-17(22)24-14-13-20-9-11-21(12-10-20)15-7-5-6-8-16(15)23-4/h5-8H,9-14H2,1-4H3,(H,19,22)
InChIKeyLLBNBJRVFJKPON-UHFFFAOYSA-N
XLogP2.34
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate 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

3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64819623
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl tricyclo[3.3.1.03,7]nonane-3-carboxylate
CID 4742716
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl (5S)-tricyclo[3.3.1.03,7]nonane-3-carboxylate;hydrochloride
CID 45262451

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate (CID 54039106) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate is COc1ccccc1N1CCN(CCOC(=O)NC(C)(C)C)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate?
The InChIKey is LLBNBJRVFJKPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-18(2,3)19-17(22)24-14-13-20-9-11-21(12-10-20)15-7-5-6-8-16(15)23-4/h5-8H,9-14H2,1-4H3,(H,19,22).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate?
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate has a molecular weight of 335.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 54039106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).