[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate

C20H25N3O2 — CID 67281861

IUPAC[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c21-20(24)25-19(17-7-3-1-4-8-17)11-12-22-13-15-23(16-14-22)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,21,24)
InChIKeyRNJZQFLXHPPPGR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.04
Rot. Bonds6

About [1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate

[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate (PubChem CID 67281861) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate.

Molecular Properties

Compound Name[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
PubChem CID67281861
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c21-20(24)25-19(17-7-3-1-4-8-17)11-12-22-13-15-23(16-14-22)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,21,24)
InChIKeyRNJZQFLXHPPPGR-UHFFFAOYSA-N
XLogP3.04
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305
[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281574
[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281133
[3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281007
[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281832
[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67280973
[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606
[1-(4-tert-butylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281866
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1-phenylbutyl] carbamate
CID 67281993
[(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate
CID 58387062
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
[1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate
CID 141319663

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
The IUPAC name of [1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate (CID 67281861) is [1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate.
What is the SMILES notation for [1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
The canonical SMILES for [1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate is NC(=O)OC(CCN1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
The InChIKey is RNJZQFLXHPPPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-20(24)25-19(17-7-3-1-4-8-17)11-12-22-13-15-23(16-14-22)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,21,24).
What are the key properties of [1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate has a molecular weight of 339.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate is sourced from PubChem (CID 67281861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).