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

C20H24ClN3O2 — CID 68632305

IUPAC[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESNC(=O)O[C@H](CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H24ClN3O2/c21-17-6-8-18(9-7-17)24-14-12-23(13-15-24)11-10-19(26-20(22)25)16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H2,22,25)/t19-/m1/s1
InChIKeyWBSQSZXEXGMKDF-LJQANCHMSA-N
MW373.88 g/mol
LogP3.69
Rot. Bonds6

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

[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (PubChem CID 68632305) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is [(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.

Molecular Properties

Compound Name[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
PubChem CID68632305
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESNC(=O)O[C@H](CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H24ClN3O2/c21-17-6-8-18(9-7-17)24-14-12-23(13-15-24)11-10-19(26-20(22)25)16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H2,22,25)/t19-/m1/s1
InChIKeyWBSQSZXEXGMKDF-LJQANCHMSA-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

[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281133
[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281574
[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281832
[3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281007
[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67280973
[1-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] formate
CID 141319663
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1-phenylbutyl] carbamate
CID 67281993
[1-(4-tert-butylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281866
[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606
(2R)-1-(4-chlorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one
CID 92967009
[(1R)-3-[4-(4-aminophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl] carbamate
CID 58387062

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The IUPAC name of [(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (CID 68632305) is [(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.
What is the SMILES notation for [(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The canonical SMILES for [(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is NC(=O)O[C@H](CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of [(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The InChIKey is WBSQSZXEXGMKDF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-17-6-8-18(9-7-17)24-14-12-23(13-15-24)11-10-19(26-20(22)25)16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H2,22,25)/t19-/m1/s1.
What are the key properties of [(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
[(1R)-3-[4-(4-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 [(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is sourced from PubChem (CID 68632305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).