N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide

C19H23N4O2+ — CID 9255560

IUPACN-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1
InChIInChI=1S/C19H22N4O2/c1-15(24)21-17-4-2-16(3-5-17)14-19(25)23-12-10-22(11-13-23)18-6-8-20-9-7-18/h2-9H,10-14H2,1H3,(H,21,24)/p+1
InChIKeySKBLXEQTMYHJJE-UHFFFAOYSA-O
MW339.42 g/mol
LogP1.35
Rot. Bonds4

About N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide

N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide (PubChem CID 9255560) has the molecular formula C19H23N4O2+ and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide
PubChem CID9255560
Molecular FormulaC19H23N4O2+
Molecular Weight339.42 g/mol
Exact Mass339.18
IUPAC NameN-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1
InChIInChI=1S/C19H22N4O2/c1-15(24)21-17-4-2-16(3-5-17)14-19(25)23-12-10-22(11-13-23)18-6-8-20-9-7-18/h2-9H,10-14H2,1H3,(H,21,24)/p+1
InChIKeySKBLXEQTMYHJJE-UHFFFAOYSA-O
XLogP1.35
TPSA66.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 113078225
N-[4-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 80702262
2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 19099535
N-[4-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 106671076
N-[4-[2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 167653626
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 1056337
ethyl 4-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]anilino]-4-oxobutanoate
CID 42768638
2-(2-chlorophenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9254435
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
CID 4558492

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide (CID 9255560) is N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide?
The InChIKey is SKBLXEQTMYHJJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O2/c1-15(24)21-17-4-2-16(3-5-17)14-19(25)23-12-10-22(11-13-23)18-6-8-20-9-7-18/h2-9H,10-14H2,1H3,(H,21,24)/p+1.
What are the key properties of N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide?
N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide is sourced from PubChem (CID 9255560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).