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

C20H24ClN3O2 — CID 67281133

IUPAC[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O2/c21-17-6-4-5-16(15-17)19(26-20(22)25)9-10-23-11-13-24(14-12-23)18-7-2-1-3-8-18/h1-8,15,19H,9-14H2,(H2,22,25)
InChIKeyUKZJJKHPTXSTMH-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.69
Rot. Bonds6

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

[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate (PubChem CID 67281133) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate
PubChem CID67281133
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O2/c21-17-6-4-5-16(15-17)19(26-20(22)25)9-10-23-11-13-24(14-12-23)18-7-2-1-3-8-18/h1-8,15,19H,9-14H2,(H2,22,25)
InChIKeyUKZJJKHPTXSTMH-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

[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[(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-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281832
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1-phenylbutyl] carbamate
CID 67281993
[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
[2-(3-chlorophenyl)-1-phenylethyl] carbamate
CID 156884464
[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperazin-1-yl)butyl]-N-methylbenzenesulfonamide
CID 5481727
(2R)-1-(4-chlorophenyl)-2-hydroxy-4-(4-phenylpiperazin-1-yl)butan-1-one
CID 92967009
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
CID 22680945

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
The IUPAC name of [1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate (CID 67281133) is [1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate.
What is the SMILES notation for [1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
The canonical SMILES for [1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate is NC(=O)OC(CCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
The InChIKey is UKZJJKHPTXSTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-17-6-4-5-16(15-17)19(26-20(22)25)9-10-23-11-13-24(14-12-23)18-7-2-1-3-8-18/h1-8,15,19H,9-14H2,(H2,22,25).
What are the key properties of [1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] 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 [1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate is sourced from PubChem (CID 67281133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).