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

C22H30N4O2 — CID 67281574

IUPAC[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate
SMILESCN(C)c1ccc(C(CCN2CCN(c3ccccc3)CC2)OC(N)=O)cc1
InChIInChI=1S/C22H30N4O2/c1-24(2)19-10-8-18(9-11-19)21(28-22(23)27)12-13-25-14-16-26(17-15-25)20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3,(H2,23,27)
InChIKeyMCEMLFRVHGWDLQ-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.10
Rot. Bonds7

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

[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate (PubChem CID 67281574) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate.

Molecular Properties

Compound Name[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate
PubChem CID67281574
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate
SMILESCN(C)c1ccc(C(CCN2CCN(c3ccccc3)CC2)OC(N)=O)cc1
InChIInChI=1S/C22H30N4O2/c1-24(2)19-10-8-18(9-11-19)21(28-22(23)27)12-13-25-14-16-26(17-15-25)20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3,(H2,23,27)
InChIKeyMCEMLFRVHGWDLQ-UHFFFAOYSA-N
XLogP3.10
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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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-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281832
[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-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67280973
[1-(4-tert-butylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281866
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606
[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
ethyl N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 7497445

Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
The IUPAC name of [1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate (CID 67281574) is [1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate.
What is the SMILES notation for [1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
The canonical SMILES for [1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate is CN(C)c1ccc(C(CCN2CCN(c3ccccc3)CC2)OC(N)=O)cc1.
What is the InChIKey of [1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
The InChIKey is MCEMLFRVHGWDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-24(2)19-10-8-18(9-11-19)21(28-22(23)27)12-13-25-14-16-26(17-15-25)20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3,(H2,23,27).
What are the key properties of [1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate?
[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate has a molecular weight of 382.51 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate is sourced from PubChem (CID 67281574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).