4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide

C20H24ClN3O — CID 112824938

IUPAC4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
SMILESCCCc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O/c1-2-4-16-7-9-18(10-8-16)22-20(25)24-13-11-23(12-14-24)19-6-3-5-17(21)15-19/h3,5-10,15H,2,4,11-14H2,1H3,(H,22,25)
InChIKeyWULPQRLQFYMACC-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.65
Rot. Bonds4

About 4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide (PubChem CID 112824938) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
PubChem CID112824938
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
SMILESCCCc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O/c1-2-4-16-7-9-18(10-8-16)22-20(25)24-13-11-23(12-14-24)19-6-3-5-17(21)15-19/h3,5-10,15H,2,4,11-14H2,1H3,(H,22,25)
InChIKeyWULPQRLQFYMACC-UHFFFAOYSA-N
XLogP4.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112138
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-ethylanilino)ethanone
CID 109004339
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 60554267
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612
4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide
CID 56761744
4-(3-chlorophenyl)-N-(4-methylphenyl)piperazine-1-carbothioamide
CID 8627170

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide (CID 112824938) is 4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide is CCCc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
The InChIKey is WULPQRLQFYMACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-2-4-16-7-9-18(10-8-16)22-20(25)24-13-11-23(12-14-24)19-6-3-5-17(21)15-19/h3,5-10,15H,2,4,11-14H2,1H3,(H,22,25).
What are the key properties of 4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide has a molecular weight of 357.89 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 112824938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).