N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide

C22H24ClN2O3+ — CID 7435662

IUPACN-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H23ClN2O3/c1-15(26)16-4-8-20(9-5-16)24-21(27)14-25-12-10-18(11-13-25)22(28)17-2-6-19(23)7-3-17/h2-9,18H,10-14H2,1H3,(H,24,27)/p+1
InChIKeyMOMMEAGCYBMPGZ-UHFFFAOYSA-O
MW399.90 g/mol
LogP2.66
Rot. Bonds6

About N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide

N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide (PubChem CID 7435662) has the molecular formula C22H24ClN2O3+ and a molecular weight of 399.90 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide
PubChem CID7435662
Molecular FormulaC22H24ClN2O3+
Molecular Weight399.90 g/mol
Exact Mass399.15
IUPAC NameN-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H23ClN2O3/c1-15(26)16-4-8-20(9-5-16)24-21(27)14-25-12-10-18(11-13-25)22(28)17-2-6-19(23)7-3-17/h2-9,18H,10-14H2,1H3,(H,24,27)/p+1
InChIKeyMOMMEAGCYBMPGZ-UHFFFAOYSA-O
XLogP2.66
TPSA67.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 5062155
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide
CID 7435645
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 6985910
methyl 4-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 9134299
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569
N-(4-acetylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8720588
N-(4-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 7436916
N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655007
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide (CID 7435662) is N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide is CC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide?
The InChIKey is MOMMEAGCYBMPGZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23ClN2O3/c1-15(26)16-4-8-20(9-5-16)24-21(27)14-25-12-10-18(11-13-25)22(28)17-2-6-19(23)7-3-17/h2-9,18H,10-14H2,1H3,(H,24,27)/p+1.
What are the key properties of N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide?
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide has a molecular weight of 399.90 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 7435662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).