N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide

C25H31Cl2N3O — CID 14872379

IUPACN-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1N1CCCC1
InChIInChI=1S/C25H31Cl2N3O/c1-28(25(31)16-20-9-10-21(26)22(27)15-20)23-11-14-29(17-19-7-3-2-4-8-19)18-24(23)30-12-5-6-13-30/h2-4,7-10,15,23-24H,5-6,11-14,16-18H2,1H3
InChIKeyLIPYXDPFQJGFHY-UHFFFAOYSA-N
MW460.45 g/mol
LogP4.73
Rot. Bonds6

About N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide

N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide (PubChem CID 14872379) has the molecular formula C25H31Cl2N3O and a molecular weight of 460.45 g/mol. Its IUPAC name is N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide
PubChem CID14872379
Molecular FormulaC25H31Cl2N3O
Molecular Weight460.45 g/mol
Exact Mass459.18
IUPAC NameN-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1N1CCCC1
InChIInChI=1S/C25H31Cl2N3O/c1-28(25(31)16-20-9-10-21(26)22(27)15-20)23-11-14-29(17-19-7-3-2-4-8-19)18-24(23)30-12-5-6-13-30/h2-4,7-10,15,23-24H,5-6,11-14,16-18H2,1H3
InChIKeyLIPYXDPFQJGFHY-UHFFFAOYSA-N
XLogP4.73
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
2-(3,4-dichlorophenyl)-N-methyl-N-[(2R,3R)-3-pyrrolidin-1-yl-1,2,3,4-tetrahydroanthracen-2-yl]acetamide
CID 15697308
2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 14673811
N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878006
2-(3,4-dichlorophenyl)-N-(4,4-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 13375664
2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 73472313
2-(3-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 14771377
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2R)-3-oxo-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 22827143
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
CID 158066971
2-(3,4-dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride
CID 54611533
2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]ethanethioamide
CID 6712725
N-[5,5-bis(ethylsulfanyl)-2-pyrrolidin-1-ylcyclohexyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 22120699

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide?
The IUPAC name of N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide (CID 14872379) is N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide?
The canonical SMILES for N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide is CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1N1CCCC1.
What is the InChIKey of N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide?
The InChIKey is LIPYXDPFQJGFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2N3O/c1-28(25(31)16-20-9-10-21(26)22(27)15-20)23-11-14-29(17-19-7-3-2-4-8-19)18-24(23)30-12-5-6-13-30/h2-4,7-10,15,23-24H,5-6,11-14,16-18H2,1H3.
What are the key properties of N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide?
N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide has a molecular weight of 460.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-pyrrolidin-1-ylpiperidin-4-yl)-2-(3,4-dichlorophenyl)-N-methylacetamide is sourced from PubChem (CID 14872379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).