1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride

C16H27Cl2N3O — CID 119489264

IUPAC1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride
SMILESCNC1CCCN(C(=O)CCNc2ccccc2C)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13-6-3-4-8-15(13)18-10-9-16(20)19-11-5-7-14(12-19)17-2;;/h3-4,6,8,14,17-18H,5,7,9-12H2,1-2H3;2*1H
InChIKeyFQTUJHWIUHCPCL-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.85
Rot. Bonds5

About 1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride

1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride (PubChem CID 119489264) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride
PubChem CID119489264
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride
SMILESCNC1CCCN(C(=O)CCNc2ccccc2C)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-13-6-3-4-8-15(13)18-10-9-16(20)19-11-5-7-14(12-19)17-2;;/h3-4,6,8,14,17-18H,5,7,9-12H2,1-2H3;2*1H
InChIKeyFQTUJHWIUHCPCL-UHFFFAOYSA-N
XLogP2.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
CID 172646427
1-(3-hydroxyazetidin-1-yl)-3-(2-methylanilino)propan-1-one
CID 154737556
1-[3-(2-methylanilino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356114
3-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032840
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2-methylanilino)propan-1-one;dihydrochloride
CID 120818166
3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032853
1-(2,5-dimethylphenyl)-4-[3-(methylamino)piperidin-1-yl]butane-1,4-dione
CID 119490854
2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575658
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
3-(2,5-dimethylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575112

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride (CID 119489264) is 1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride is CNC1CCCN(C(=O)CCNc2ccccc2C)C1.Cl.Cl.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride?
The InChIKey is FQTUJHWIUHCPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-13-6-3-4-8-15(13)18-10-9-16(20)19-11-5-7-14(12-19)17-2;;/h3-4,6,8,14,17-18H,5,7,9-12H2,1-2H3;2*1H.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride?
1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride is sourced from PubChem (CID 119489264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).