3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate

C22H29N3O3 — CID 58904664

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OCCCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C22H29N3O3/c1-18-7-5-8-19(17-18)25-14-12-24(13-15-25)11-6-16-28-22(26)23-20-9-3-4-10-21(20)27-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
InChIKeyDDXHEMGYPREAEP-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.76
Rot. Bonds7

About 3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate

3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate (PubChem CID 58904664) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
PubChem CID58904664
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OCCCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C22H29N3O3/c1-18-7-5-8-19(17-18)25-14-12-24(13-15-25)11-6-16-28-22(26)23-20-9-3-4-10-21(20)27-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)
InChIKeyDDXHEMGYPREAEP-UHFFFAOYSA-N
XLogP3.76
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.76
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

3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate
CID 58904598
1-(2-methoxyphenyl)-2-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine
CID 111062287
ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 12838126
3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
CID 58904617
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
N-(2-methoxyphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978773
N-[2-(2-methoxyethoxy)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 47493667
2-morpholin-4-ylethyl N-(2-methoxyphenyl)carbamate
CID 3087022
ethyl N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]carbamate
CID 12838128
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate
CID 58904602
2-[2-methoxy-4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 46649792
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate (CID 58904664) is 3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate is COc1ccccc1NC(=O)OCCCN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate?
The InChIKey is DDXHEMGYPREAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-18-7-5-8-19(17-18)25-14-12-24(13-15-25)11-6-16-28-22(26)23-20-9-3-4-10-21(20)27-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26).
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate?
3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate has a molecular weight of 383.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 58904664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).