2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone

C18H24Cl2N2O — CID 60504451

IUPAC2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C18H24Cl2N2O/c1-13-4-2-3-9-22(13)18(23)12-21(15-6-7-15)11-14-5-8-16(19)17(20)10-14/h5,8,10,13,15H,2-4,6-7,9,11-12H2,1H3
InChIKeyAAUHLNANVFAFTQ-UHFFFAOYSA-N
MW355.31 g/mol
LogP4.36
Rot. Bonds5

About 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone

2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 60504451) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID60504451
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C18H24Cl2N2O/c1-13-4-2-3-9-22(13)18(23)12-21(15-6-7-15)11-14-5-8-16(19)17(20)10-14/h5,8,10,13,15H,2-4,6-7,9,11-12H2,1H3
InChIKeyAAUHLNANVFAFTQ-UHFFFAOYSA-N
XLogP4.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylamino-ethyl)-piperidin-1-yl]-ethanone(HCl)
CID 14810989
(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrrolidin-2-yl)-piperidin-1-yl]-ethanone(HCl)
CID 14810996
JOH-UNI-0e1753c1-5
CID 156906481
2-(3,4-dichlorophenyl)-1-[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 14810952
2-(3,4-dichlorophenyl)-1-[(2S)-2-(1-methylpyrrolidin-2-yl)piperidin-1-yl]ethanone
CID 44307887
1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
2-(3,4-Dichloro-phenyl)-N-methyl-N-((R)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 14804469
2-(3,4-Dichloro-phenyl)-1-(2-dimethylaminomethyl-piperidin-1-yl)-ethanone
CID 14810949
2-(3,4-Dichloro-phenyl)-1-[2-(3-methylene-pyrrolidin-1-ylmethyl)-piperidin-1-yl]-ethanone
CID 15123220
2-(3,4-Dichloro-phenyl)-1-(2-methyl-6-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone
CID 15123272

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone (CID 60504451) is 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CN(Cc1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is AAUHLNANVFAFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O/c1-13-4-2-3-9-22(13)18(23)12-21(15-6-7-15)11-14-5-8-16(19)17(20)10-14/h5,8,10,13,15H,2-4,6-7,9,11-12H2,1H3.
What are the key properties of 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone?
2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 355.31 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 60504451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).