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

C22H29N3O4 — CID 67281832

IUPAC[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
SMILESCOc1ccc(C(CCN2CCN(c3ccc(OC)cc3)CC2)OC(N)=O)cc1
InChIInChI=1S/C22H29N3O4/c1-27-19-7-3-17(4-8-19)21(29-22(23)26)11-12-24-13-15-25(16-14-24)18-5-9-20(28-2)10-6-18/h3-10,21H,11-16H2,1-2H3,(H2,23,26)
InChIKeyBUSDSMMCOLSENE-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.05
Rot. Bonds8

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

[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate (PubChem CID 67281832) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
PubChem CID67281832
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
SMILESCOc1ccc(C(CCN2CCN(c3ccc(OC)cc3)CC2)OC(N)=O)cc1
InChIInChI=1S/C22H29N3O4/c1-27-19-7-3-17(4-8-19)21(29-22(23)26)11-12-24-13-15-25(16-14-24)18-5-9-20(28-2)10-6-18/h3-10,21H,11-16H2,1-2H3,(H2,23,26)
InChIKeyBUSDSMMCOLSENE-UHFFFAOYSA-N
XLogP3.05
TPSA77.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[1-(4-tert-butylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281866
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67280973
[3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-nitrophenyl)propyl] carbamate
CID 67281965
[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281574
[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305
1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
4-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 24693485
[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281133
6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
CID 106802258

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate?
The IUPAC name of [1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate (CID 67281832) is [1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate.
What is the SMILES notation for [1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate?
The canonical SMILES for [1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate is COc1ccc(C(CCN2CCN(c3ccc(OC)cc3)CC2)OC(N)=O)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate?
The InChIKey is BUSDSMMCOLSENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-19-7-3-17(4-8-19)21(29-22(23)26)11-12-24-13-15-25(16-14-24)18-5-9-20(28-2)10-6-18/h3-10,21H,11-16H2,1-2H3,(H2,23,26).
What are the key properties of [1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate?
[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate has a molecular weight of 399.49 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate is sourced from PubChem (CID 67281832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).