tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate

C18H29N3O2 — CID 176742069

IUPACtert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)19(4)10-11-20-12-14-21(15-13-20)16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3
InChIKeyBXKUFEWQTHPMDB-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.68
Rot. Bonds4

About tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate

tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate (PubChem CID 176742069) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
PubChem CID176742069
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
SMILESCN(CCN1CCN(c2ccccc2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)19(4)10-11-20-12-14-21(15-13-20)16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3
InChIKeyBXKUFEWQTHPMDB-UHFFFAOYSA-N
XLogP2.68
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-methyl-N-[2-(4-phenylpiperazin-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

tert-butyl N-methyl-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]carbamate
CID 167614379
2-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide;trihydrochloride
CID 119903413
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119903379
tert-butyl 2-amino-3-(4-phenylpiperazin-1-yl)propanoate
CID 174641215
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119903422
tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate
CID 59843161
(2S)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 122081644
tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate
CID 146498260
tert-butyl N-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 157302191
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
CID 137320760
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995
tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
CID 156839816

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate (CID 176742069) is tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate is CN(CCN1CCN(c2ccccc2)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is BXKUFEWQTHPMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)19(4)10-11-20-12-14-21(15-13-20)16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 176742069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).