3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride

C16H26Cl3N3O2 — CID 120598207

IUPAC3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1NCCC(=O)NC1CCNC(C)C1.Cl.Cl
InChIInChI=1S/C16H24ClN3O2.2ClH/c1-11-9-13(5-7-18-11)20-16(21)6-8-19-14-10-12(17)3-4-15(14)22-2;;/h3-4,10-11,13,18-19H,5-9H2,1-2H3,(H,20,21);2*1H
InChIKeyTWUDLLIZQMLXOO-UHFFFAOYSA-N
MW398.76 g/mol
LogP3.25
Rot. Bonds6

About 3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride

3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride (PubChem CID 120598207) has the molecular formula C16H26Cl3N3O2 and a molecular weight of 398.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride
PubChem CID120598207
Molecular FormulaC16H26Cl3N3O2
Molecular Weight398.76 g/mol
Exact Mass397.11
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1NCCC(=O)NC1CCNC(C)C1.Cl.Cl
InChIInChI=1S/C16H24ClN3O2.2ClH/c1-11-9-13(5-7-18-11)20-16(21)6-8-19-14-10-12(17)3-4-15(14)22-2;;/h3-4,10-11,13,18-19H,5-9H2,1-2H3,(H,20,21);2*1H
InChIKeyTWUDLLIZQMLXOO-UHFFFAOYSA-N
XLogP3.25
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.76
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120600169
N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 120599219
3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598164
N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 120602634
5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120600434
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598283
3-(5-chloro-2-methoxyanilino)-1-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]propan-1-one
CID 99779193
3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119444531
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120601904

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride (CID 120598207) is 3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride is COc1ccc(Cl)cc1NCCC(=O)NC1CCNC(C)C1.Cl.Cl.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride?
The InChIKey is TWUDLLIZQMLXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2.2ClH/c1-11-9-13(5-7-18-11)20-16(21)6-8-19-14-10-12(17)3-4-15(14)22-2;;/h3-4,10-11,13,18-19H,5-9H2,1-2H3,(H,20,21);2*1H.
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride?
3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride has a molecular weight of 398.76 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 120598207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).