N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide

C16H22ClN3O2 — CID 86910543

IUPACN-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide
SMILESCC(=O)N1CCC(NC(=O)CNc2cccc(Cl)c2C)CC1
InChIInChI=1S/C16H22ClN3O2/c1-11-14(17)4-3-5-15(11)18-10-16(22)19-13-6-8-20(9-7-13)12(2)21/h3-5,13,18H,6-10H2,1-2H3,(H,19,22)
InChIKeySAUTURYCZAQRKL-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.19
Rot. Bonds4

About N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide

N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide (PubChem CID 86910543) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide
PubChem CID86910543
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide
SMILESCC(=O)N1CCC(NC(=O)CNc2cccc(Cl)c2C)CC1
InChIInChI=1S/C16H22ClN3O2/c1-11-14(17)4-3-5-15(11)18-10-16(22)19-13-6-8-20(9-7-13)12(2)21/h3-5,13,18H,6-10H2,1-2H3,(H,19,22)
InChIKeySAUTURYCZAQRKL-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(2,3-dichloroanilino)acetamide
CID 86910665
2-(2,3-dichloroanilino)-N-(4-methylcyclohexyl)acetamide
CID 47123114
2-(3-acetamido-2-methylanilino)-N-cyclooctylacetamide
CID 34067869
4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54814827
N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide
CID 78823282
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126
2-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735131
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995630

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide (CID 86910543) is N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide is CC(=O)N1CCC(NC(=O)CNc2cccc(Cl)c2C)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide?
The InChIKey is SAUTURYCZAQRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11-14(17)4-3-5-15(11)18-10-16(22)19-13-6-8-20(9-7-13)12(2)21/h3-5,13,18H,6-10H2,1-2H3,(H,19,22).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide?
N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide has a molecular weight of 323.82 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide is sourced from PubChem (CID 86910543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).