3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate

C21H27N3O3 — CID 58904598

IUPAC3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O3/c1-26-20-11-6-5-10-19(20)22-21(25)27-17-7-12-23-13-15-24(16-14-23)18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3,(H,22,25)
InChIKeyKLTOKEVHJXJLFH-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.46
Rot. Bonds7

About 3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate

3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate (PubChem CID 58904598) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate
PubChem CID58904598
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)OCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O3/c1-26-20-11-6-5-10-19(20)22-21(25)27-17-7-12-23-13-15-24(16-14-23)18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3,(H,22,25)
InChIKeyKLTOKEVHJXJLFH-UHFFFAOYSA-N
XLogP3.46
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.46
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-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
CID 58904664
3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
CID 58904617
2-morpholin-4-ylethyl N-(2-methoxyphenyl)carbamate
CID 3087022
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate
CID 58904602
1-(2-methoxyphenyl)-2-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine
CID 111062287
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 12838126
1-(2,5-dimethoxyphenyl)-2-[4-(4-phenylpiperazin-1-yl)butyl]guanidine
CID 111061953
2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10099893
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate (CID 58904598) is 3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate is COc1ccccc1NC(=O)OCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate?
The InChIKey is KLTOKEVHJXJLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-20-11-6-5-10-19(20)22-21(25)27-17-7-12-23-13-15-24(16-14-23)18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3,(H,22,25).
What are the key properties of 3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate?
3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate has a molecular weight of 369.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 58904598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).