N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide

C16H16Cl2N4O — CID 3787929

IUPACN-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C16H16Cl2N4O/c17-12-4-6-13(7-5-12)19-16(23)22-10-8-21(9-11-22)15-3-1-2-14(18)20-15/h1-7H,8-11H2,(H,19,23)
InChIKeyGFJPFJQVOHHUDW-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.74
Rot. Bonds2

About N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 3787929) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
PubChem CID3787929
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC NameN-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C16H16Cl2N4O/c17-12-4-6-13(7-5-12)19-16(23)22-10-8-21(9-11-22)15-3-1-2-14(18)20-15/h1-7H,8-11H2,(H,19,23)
InChIKeyGFJPFJQVOHHUDW-UHFFFAOYSA-N
XLogP3.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-4-(6-pyrrol-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122341455
N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336002
N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113113026
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 134100572
N-(4-chlorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 50947917
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
CID 2746538
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55876732
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
N-(4-chlorophenyl)-4-[3-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxamide
CID 53052187
N-(4-chlorophenyl)-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335421
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide (CID 3787929) is N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)n2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is GFJPFJQVOHHUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c17-12-4-6-13(7-5-12)19-16(23)22-10-8-21(9-11-22)15-3-1-2-14(18)20-15/h1-7H,8-11H2,(H,19,23).
What are the key properties of N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(6-chloro-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 3787929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).