1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride

C19H25Cl3N2O2 — CID 67691848

IUPAC1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride
SMILESC[C@]1(N2CCCC(=O)C2)CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C19H24Cl2N2O2.ClH/c1-19(22-9-4-5-15(24)13-22)8-2-3-10-23(19)18(25)12-14-6-7-16(20)17(21)11-14;/h6-7,11H,2-5,8-10,12-13H2,1H3;1H/t19-;/m1./s1
InChIKeyYTNLMONHMHEEIP-FSRHSHDFSA-N
MW419.78 g/mol
LogP4.35
Rot. Bonds3

About 1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride

1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride (PubChem CID 67691848) has the molecular formula C19H25Cl3N2O2 and a molecular weight of 419.78 g/mol. Its IUPAC name is 1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride.

Molecular Properties

Compound Name1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride
PubChem CID67691848
Molecular FormulaC19H25Cl3N2O2
Molecular Weight419.78 g/mol
Exact Mass418.10
IUPAC Name1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride
SMILESC[C@]1(N2CCCC(=O)C2)CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C19H24Cl2N2O2.ClH/c1-19(22-9-4-5-15(24)13-22)8-2-3-10-23(19)18(25)12-14-6-7-16(20)17(21)11-14;/h6-7,11H,2-5,8-10,12-13H2,1H3;1H/t19-;/m1./s1
InChIKeyYTNLMONHMHEEIP-FSRHSHDFSA-N
XLogP4.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.78
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride with MolForge

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Related Compounds

1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2-ylmethyl}-pyrrolidin-3-one
CID 9891527
(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylamino-ethyl)-piperidin-1-yl]-ethanone(HCl)
CID 14810989
2-(3,4-dichlorophenyl)-1-[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 14810952
2-(3,4-Dichloro-phenyl)-1-(2-piperidin-1-ylmethyl-piperidin-1-yl)-ethanone
CID 14810957
2-(3,4-Dichloro-phenyl)-1-(2-dimethylaminomethyl-piperidin-1-yl)-ethanone
CID 14810949
1-[2-(3,4-Dichloro-phenyl)-acetyl]-2-pyrrolidin-1-ylmethyl-piperidin-4-one
CID 15123248
2-(3,4-Dichloro-phenyl)-1-(2-diethylaminomethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810954
2-(3,4-Dichloro-phenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-piperidin-1-yl]-ethanone
CID 15123217
2-(3,4-Dichloro-phenyl)-1-[2-(4-methylene-piperidin-1-ylmethyl)-piperidin-1-yl]-ethanone
CID 15123226
2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-methyl-1-piperidin-1-ylmethyl-propyl)-acetamide
CID 15130827
1-[2-(3,4-Dichloro-phenyl)-acetyl]-6-pyrrolidin-1-ylmethyl-piperidin-3-one
CID 44364278
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 16290396

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride?
The IUPAC name of 1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride (CID 67691848) is 1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride.
What is the SMILES notation for 1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride?
The canonical SMILES for 1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride is C[C@]1(N2CCCC(=O)C2)CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride?
The InChIKey is YTNLMONHMHEEIP-FSRHSHDFSA-N. The full InChI is InChI=1S/C19H24Cl2N2O2.ClH/c1-19(22-9-4-5-15(24)13-22)8-2-3-10-23(19)18(25)12-14-6-7-16(20)17(21)11-14;/h6-7,11H,2-5,8-10,12-13H2,1H3;1H/t19-;/m1./s1.
What are the key properties of 1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride?
1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride has a molecular weight of 419.78 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[2-(3,4-dichlorophenyl)acetyl]-2-methylpiperidin-2-yl]piperidin-3-one;hydrochloride is sourced from PubChem (CID 67691848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).