4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide

C17H17Cl2N3O — CID 113080443

IUPAC4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H17Cl2N3O/c18-14-7-4-8-15(19)16(14)21-9-11-22(12-10-21)17(23)20-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,23)
InChIKeyNISBKFLIBKBFHT-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.35
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide

4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 113080443) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
PubChem CID113080443
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C17H17Cl2N3O/c18-14-7-4-8-15(19)16(14)21-9-11-22(12-10-21)17(23)20-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,23)
InChIKeyNISBKFLIBKBFHT-UHFFFAOYSA-N
XLogP4.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 113114814
4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
CID 113076745
N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113113026
4-(2-chlorobenzoyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 110811610
3-[[4-(2,6-dichlorophenyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017871
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
N-(3-chlorophenyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068173
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
CID 113079371
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111849
N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113114825

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide (CID 113080443) is 4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is NISBKFLIBKBFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-14-7-4-8-15(19)16(14)21-9-11-22(12-10-21)17(23)20-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,23).
What are the key properties of 4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide?
4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 350.25 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 113080443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).