2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate

C20H33N3O2 — CID 175337647

IUPAC2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
SMILESCN1CCN(CCOC(=O)N(CCc2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C20H33N3O2/c1-20(2,3)23(11-10-18-8-6-5-7-9-18)19(24)25-17-16-22-14-12-21(4)13-15-22/h5-9H,10-17H2,1-4H3
InChIKeyZIDRNOGJESFHQV-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.71
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate

2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate (PubChem CID 175337647) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
PubChem CID175337647
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
SMILESCN1CCN(CCOC(=O)N(CCc2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C20H33N3O2/c1-20(2,3)23(11-10-18-8-6-5-7-9-18)19(24)25-17-16-22-14-12-21(4)13-15-22/h5-9H,10-17H2,1-4H3
InChIKeyZIDRNOGJESFHQV-UHFFFAOYSA-N
XLogP2.71
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-ylethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175010495
2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175013804
[(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175009875
[5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-oxopentyl] N-tert-butyl-N-(2-phenylethyl)carbamate
CID 90699319
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethyl N-benzyl-N-(2-phenylethyl)carbamate
CID 175009433
2-phenylethyl N,N-dipropylcarbamate
CID 11096967
2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 52553124
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate
CID 142021465
2-[4-(2-carbamoyloxyethyl)piperazin-1-yl]ethyl N,N-diphenylcarbamate
CID 139677499
2-(4-methylpiperazin-1-yl)ethyl 2-(3-chlorophenyl)-2-hydroxy-2-phenylacetate;dihydrochloride
CID 134123095
4-(4-methylpiperazin-1-yl)-2-phenylbutanamide
CID 54530571

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
The IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate (CID 175337647) is 2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate is CN1CCN(CCOC(=O)N(CCc2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
The InChIKey is ZIDRNOGJESFHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-20(2,3)23(11-10-18-8-6-5-7-9-18)19(24)25-17-16-22-14-12-21(4)13-15-22/h5-9H,10-17H2,1-4H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate has a molecular weight of 347.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 175337647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).