4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide

C21H24ClN3O2 — CID 109043128

IUPAC4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-15(2)23-20(26)16-6-8-17(9-7-16)21(27)25-12-10-24(11-13-25)19-5-3-4-18(22)14-19/h3-9,14-15H,10-13H2,1-2H3,(H,23,26)
InChIKeyUFZNJBWKQIYFRB-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.44
Rot. Bonds4

About 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide (PubChem CID 109043128) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
PubChem CID109043128
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-15(2)23-20(26)16-6-8-17(9-7-16)21(27)25-12-10-24(11-13-25)19-5-3-4-18(22)14-19/h3-9,14-15H,10-13H2,1-2H3,(H,23,26)
InChIKeyUFZNJBWKQIYFRB-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223421
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179502
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 1116272
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 3-benzamidobutanoate
CID 55403327
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide (CID 109043128) is 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide?
The InChIKey is UFZNJBWKQIYFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15(2)23-20(26)16-6-8-17(9-7-16)21(27)25-12-10-24(11-13-25)19-5-3-4-18(22)14-19/h3-9,14-15H,10-13H2,1-2H3,(H,23,26).
What are the key properties of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide?
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide has a molecular weight of 385.90 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 109043128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).