4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide

C18H20Cl2N4O — CID 23827340

IUPAC4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)c(C)c1
InChIInChI=1S/C18H20Cl2N4O/c1-12-3-4-16(13(2)9-12)22-18(25)24-7-5-23(6-8-24)17-14(19)10-21-11-15(17)20/h3-4,9-11H,5-8H2,1-2H3,(H,22,25)
InChIKeyUDHBEOFKUAJPFK-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.36
Rot. Bonds2

About 4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide

4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 23827340) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
PubChem CID23827340
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC Name4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)c(C)c1
InChIInChI=1S/C18H20Cl2N4O/c1-12-3-4-16(13(2)9-12)22-18(25)24-7-5-23(6-8-24)17-14(19)10-21-11-15(17)20/h3-4,9-11H,5-8H2,1-2H3,(H,22,25)
InChIKeyUDHBEOFKUAJPFK-UHFFFAOYSA-N
XLogP4.36
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide
CID 23856810
N-(2,4-dimethylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
CID 53189520
N-(2-chloro-4-methylphenyl)-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carbothioamide
CID 3807205
N-(4-chloro-2-methylphenyl)-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carbothioamide
CID 3567207
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(3,5-dichloro-4-pyridinyl)piperazine-1-carboxamide
CID 3772899
4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111468
4-(3,5-dichloro-4-pyridinyl)-N-(3-fluoro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 118326998
N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336021
N-(2,5-dimethylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23829397
N-(2,4-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111461
ethyl 4-[[4-(3,5-dichloro-4-pyridinyl)piperazine-1-carbonyl]amino]benzoate
CID 3363290
N-(2,4-dimethylphenyl)-4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 121032031

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide (CID 23827340) is 4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)c(C)c1.
What is the InChIKey of 4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is UDHBEOFKUAJPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c1-12-3-4-16(13(2)9-12)22-18(25)24-7-5-23(6-8-24)17-14(19)10-21-11-15(17)20/h3-4,9-11H,5-8H2,1-2H3,(H,22,25).
What are the key properties of 4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide?
4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-pyridinyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 23827340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).