3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride

C16H26Cl3N3O2 — CID 119444531

IUPAC3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1NCCC(=O)N(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C16H24ClN3O2.2ClH/c1-20(13-5-8-18-9-6-13)16(21)7-10-19-14-11-12(17)3-4-15(14)22-2;;/h3-4,11,13,18-19H,5-10H2,1-2H3;2*1H
InChIKeyGEJLPPNDDFTDOC-UHFFFAOYSA-N
MW398.76 g/mol
LogP3.20
Rot. Bonds6

About 3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride

3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride (PubChem CID 119444531) has the molecular formula C16H26Cl3N3O2 and a molecular weight of 398.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
PubChem CID119444531
Molecular FormulaC16H26Cl3N3O2
Molecular Weight398.76 g/mol
Exact Mass397.11
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1NCCC(=O)N(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C16H24ClN3O2.2ClH/c1-20(13-5-8-18-9-6-13)16(21)7-10-19-14-11-12(17)3-4-15(14)22-2;;/h3-4,11,13,18-19H,5-10H2,1-2H3;2*1H
InChIKeyGEJLPPNDDFTDOC-UHFFFAOYSA-N
XLogP3.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.76
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119533142
2-[3-(5-chloro-2-methoxyanilino)propanoyl-methylamino]propanoic acid
CID 119208863
3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120598207
3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119442830
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(5-chloro-2-methoxyanilino)propan-1-one
CID 120655428
N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119554637
N-(5-chloro-2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 119929559
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119443754
3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394510
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(5-chloro-2-methoxyanilino)propan-1-one;dihydrochloride
CID 119413450

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride (CID 119444531) is 3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride is COc1ccc(Cl)cc1NCCC(=O)N(C)C1CCNCC1.Cl.Cl.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride?
The InChIKey is GEJLPPNDDFTDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2.2ClH/c1-20(13-5-8-18-9-6-13)16(21)7-10-19-14-11-12(17)3-4-15(14)22-2;;/h3-4,11,13,18-19H,5-10H2,1-2H3;2*1H.
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride?
3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride has a molecular weight of 398.76 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119444531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).