[3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate

C20H24ClN3O2 — CID 67281064

IUPAC[3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H24ClN3O2/c21-17-7-4-8-18(15-17)24-13-11-23(12-14-24)10-9-19(26-20(22)25)16-5-2-1-3-6-16/h1-8,15,19H,9-14H2,(H2,22,25)
InChIKeyBAVFRUKRIHEOSL-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.69
Rot. Bonds6

About [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate

[3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (PubChem CID 67281064) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.

Molecular Properties

Compound Name[3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
PubChem CID67281064
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name[3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H24ClN3O2/c21-17-7-4-8-18(15-17)24-13-11-23(12-14-24)10-9-19(26-20(22)25)16-5-2-1-3-6-16/h1-8,15,19H,9-14H2,(H2,22,25)
InChIKeyBAVFRUKRIHEOSL-UHFFFAOYSA-N
XLogP3.69
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(benzyloxy)piperidino]butyl-N-(4-chlorophenyl)carbamate
CID 10223679
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 11526048
[3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 25120701
3-(2-Chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25147627
3-(4-Chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183173
3-(3-Chlorophenyl)-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183313
[3-[4-(3-Methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67280996
[3-[4-(2-Methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281007
[1-Phenyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl] carbamate
CID 67281555
[3-[4-(2-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281637
[3-[4-(4-Methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281751
[1-Phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (CID 67281064) is [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.
What is the SMILES notation for [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The canonical SMILES for [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is NC(=O)OC(CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The InChIKey is BAVFRUKRIHEOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-17-7-4-8-18(15-17)24-13-11-23(12-14-24)10-9-19(26-20(22)25)16-5-2-1-3-6-16/h1-8,15,19H,9-14H2,(H2,22,25).
What are the key properties of [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
[3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate has a molecular weight of 373.88 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is sourced from PubChem (CID 67281064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).