tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate

C20H33N3O3 — CID 58765508

IUPACtert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H33N3O3/c1-20(2,3)26-19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24)
InChIKeyKONGZRYXSLUXFB-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.12
Rot. Bonds7

About tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate

tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate (PubChem CID 58765508) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
PubChem CID58765508
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Nametert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H33N3O3/c1-20(2,3)26-19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24)
InChIKeyKONGZRYXSLUXFB-UHFFFAOYSA-N
XLogP3.12
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Urapidil
CID 5639
1-(2-Methoxyphenyl)piperazine
CID 1346
Pardoprunox
CID 6918525
5-Methylurapidil
CID 5640
N-(2-Methoxyphenyl)piperazine hydrochloride
CID 9899402
Urapidil hydrochloride
CID 167980
LR 511
CID 68696
1-(2-Ethoxyphenyl)piperazine
CID 83357
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
GW542573X
CID 24885053
1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate (CID 58765508) is tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate is COc1ccccc1N1CCN(CCCCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate?
The InChIKey is KONGZRYXSLUXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-20(2,3)26-19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate?
tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate has a molecular weight of 363.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate is sourced from PubChem (CID 58765508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).