N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

C18H22N4O2 — CID 86986398

IUPACN-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-2-24-17-5-3-15(4-6-17)20-18(23)22-13-11-21(12-14-22)16-7-9-19-10-8-16/h3-10H,2,11-14H2,1H3,(H,20,23)
InChIKeyWGRBPKYOJCGGHU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.83
Rot. Bonds4

About N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86986398) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86986398
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-2-24-17-5-3-15(4-6-17)20-18(23)22-13-11-21(12-14-22)16-7-9-19-10-8-16/h3-10H,2,11-14H2,1H3,(H,20,23)
InChIKeyWGRBPKYOJCGGHU-UHFFFAOYSA-N
XLogP2.83
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide
CID 86988135
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737
4-(3,5-dichloro-4-pyridinyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 23852476
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(4-ethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113781
N-(4-ethoxyphenyl)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780303
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86986398) is N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is WGRBPKYOJCGGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-24-17-5-3-15(4-6-17)20-18(23)22-13-11-21(12-14-22)16-7-9-19-10-8-16/h3-10H,2,11-14H2,1H3,(H,20,23).
What are the key properties of N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86986398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).