4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C20H23Cl2N3O — CID 3869471

IUPAC4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H23Cl2N3O/c1-14(2)15-3-5-16(6-4-15)23-20(26)25-11-9-24(10-12-25)17-7-8-18(21)19(22)13-17/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyJIQXKCCKBHZXPI-UHFFFAOYSA-N
MW392.33 g/mol
LogP5.47
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 3869471) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID3869471
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C20H23Cl2N3O/c1-14(2)15-3-5-16(6-4-15)23-20(26)25-11-9-24(10-12-25)17-7-8-18(21)19(22)13-17/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyJIQXKCCKBHZXPI-UHFFFAOYSA-N
XLogP5.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cariprazine
CID 11154555
N-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 594820
Sr-17018
CID 130431397
Cariprazine hydrochloride
CID 25096873
N-[trans-4-[2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]acetamide
CID 70683582
1-(2,3-Dichlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 4994857
NAcM-OPT
CID 126711307
Cariprazine Impurity 37
CID 11259580
Trans-1-{4-[2-[4-(2,3-dichlorophenyl)-piperazin-1-yl]-ethyl]-cyclohexyl}-3-ethyl-urea
CID 11441732
N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 846926
1-(3,4-Dichlorophenyl)-3-(4-ethylphenyl)urea
CID 307047
1,1-Dibenzyl-3-(2,3-dichlorophenyl)urea
CID 311269

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 3869471) is 4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is JIQXKCCKBHZXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-14(2)15-3-5-16(6-4-15)23-20(26)25-11-9-24(10-12-25)17-7-8-18(21)19(22)13-17/h3-8,13-14H,9-12H2,1-2H3,(H,23,26).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 392.33 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3869471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).