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

C18H20Cl2N4O2 — CID 23852476

IUPAC4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)cc1
InChIInChI=1S/C18H20Cl2N4O2/c1-2-26-14-5-3-13(4-6-14)22-18(25)24-9-7-23(8-10-24)17-15(19)11-21-12-16(17)20/h3-6,11-12H,2,7-10H2,1H3,(H,22,25)
InChIKeyPJAWHUVNAIFOGX-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.14
Rot. Bonds4

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

4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 23852476) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID23852476
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)cc1
InChIInChI=1S/C18H20Cl2N4O2/c1-2-26-14-5-3-13(4-6-14)22-18(25)24-9-7-23(8-10-24)17-15(19)11-21-12-16(17)20/h3-6,11-12H,2,7-10H2,1H3,(H,22,25)
InChIKeyPJAWHUVNAIFOGX-UHFFFAOYSA-N
XLogP4.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[4-(3,5-dichloro-4-pyridinyl)piperazine-1-carbonyl]amino]benzoate
CID 3363290
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 122176304
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 122281562
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781
methyl 2-[4-[(4-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113775

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 23852476) is 4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)cc1.
What is the InChIKey of 4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is PJAWHUVNAIFOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-2-26-14-5-3-13(4-6-14)22-18(25)24-9-7-23(8-10-24)17-15(19)11-21-12-16(17)20/h3-6,11-12H,2,7-10H2,1H3,(H,22,25).
What are the key properties of 4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 23852476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).