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

C28H32N4O4 — CID 90466717

IUPAC[4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate
SMILESCOc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(-c3cccc(C(N)=O)c3)cc2)CC1
InChIInChI=1S/C28H32N4O4/c1-35-26-9-3-2-8-25(26)32-18-16-31(17-19-32)15-5-14-30-28(34)36-24-12-10-21(11-13-24)22-6-4-7-23(20-22)27(29)33/h2-4,6-13,20H,5,14-19H2,1H3,(H2,29,33)(H,30,34)
InChIKeyZUARVBUFFCRJPZ-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.76
Rot. Bonds9

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

[4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate (PubChem CID 90466717) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is [4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate.

Molecular Properties

Compound Name[4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate
PubChem CID90466717
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name[4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate
SMILESCOc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(-c3cccc(C(N)=O)c3)cc2)CC1
InChIInChI=1S/C28H32N4O4/c1-35-26-9-3-2-8-25(26)32-18-16-31(17-19-32)15-5-14-30-28(34)36-24-12-10-21(11-13-24)22-6-4-7-23(20-22)27(29)33/h2-4,6-13,20H,5,14-19H2,1H3,(H2,29,33)(H,30,34)
InChIKeyZUARVBUFFCRJPZ-UHFFFAOYSA-N
XLogP3.76
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
Upidosin
CID 148842
BP-897
CID 3038494
GR-103691
CID 4302960
N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
(2S)-3-(4-methoxyphenyl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648322
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylbenzamide
CID 10572854
4-[4-[[4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 10718709
Azepan-1-yl-{3-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-methanone
CID 10811379
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 10939167

Frequently Asked Questions

What is the IUPAC name of [4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate?
The IUPAC name of [4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate (CID 90466717) is [4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate.
What is the SMILES notation for [4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate?
The canonical SMILES for [4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate is COc1ccccc1N1CCN(CCCNC(=O)Oc2ccc(-c3cccc(C(N)=O)c3)cc2)CC1.
What is the InChIKey of [4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate?
The InChIKey is ZUARVBUFFCRJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-35-26-9-3-2-8-25(26)32-18-16-31(17-19-32)15-5-14-30-28(34)36-24-12-10-21(11-13-24)22-6-4-7-23(20-22)27(29)33/h2-4,6-13,20H,5,14-19H2,1H3,(H2,29,33)(H,30,34).
What are the key properties of [4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate?
[4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate has a molecular weight of 488.59 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-carbamoylphenyl)phenyl] N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate is sourced from PubChem (CID 90466717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).