2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone

C18H24Cl2N2O — CID 14810996

IUPAC2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone
SMILESCN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
InChIKeyUOAOMCIHXQMCHQ-UHFFFAOYSA-N
MW355.31 g/mol
LogP4.01
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone

2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone (PubChem CID 14810996) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone
PubChem CID14810996
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone
SMILESCN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
InChIKeyUOAOMCIHXQMCHQ-UHFFFAOYSA-N
XLogP4.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

U-47700
CID 71719125
rel-3,4-Dichloro-N-methyl-N-((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 3036289
3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 5619
4-((3,4-Dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid methyl ester
CID 3505
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
(+/-)-trans-U-50488 methanesulfonate salt
CID 135349
1-Piperazinecarboxylic acid, 4-(2-(3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester, (2E)-2-butenedioate (1:1)
CID 6442840
GR-103545
CID 6603856
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
CID 6604724
2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl-1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-ethanone
CID 9955378
GR 94839
CID 131626
Lpk-26
CID 10043746

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone (CID 14810996) is 2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone is CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is UOAOMCIHXQMCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 355.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 14810996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).