3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one

C16H24N2O2 — CID 109032853

IUPAC3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccccc1NCCC(=O)N1CCCC(C)C1
InChIInChI=1S/C16H24N2O2/c1-13-6-5-11-18(12-13)16(19)9-10-17-14-7-3-4-8-15(14)20-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyGURYFCAIHUUCFD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.76
Rot. Bonds5

About 3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one

3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 109032853) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID109032853
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccccc1NCCC(=O)N1CCCC(C)C1
InChIInChI=1S/C16H24N2O2/c1-13-6-5-11-18(12-13)16(19)9-10-17-14-7-3-4-8-15(14)20-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyGURYFCAIHUUCFD-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032840
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 47091483
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818354
1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one
CID 109032918
N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966766
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048994
methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
CID 109006552
N-[(2-methoxyphenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113119773
2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 7376785
1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride
CID 119489264
3-(3-acetylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032867
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one (CID 109032853) is 3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one is COc1ccccc1NCCC(=O)N1CCCC(C)C1.
What is the InChIKey of 3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is GURYFCAIHUUCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-6-5-11-18(12-13)16(19)9-10-17-14-7-3-4-8-15(14)20-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3.
What are the key properties of 3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 109032853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).