(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone

C17H19Cl2NO2 — CID 94796993

IUPAC(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H19Cl2NO2/c1-10-8-13(10)17(22)20-6-4-11(5-7-20)16(21)12-2-3-14(18)15(19)9-12/h2-3,9-11,13H,4-8H2,1H3/t10-,13-/m0/s1
InChIKeyWXNDFKXIAJAKMC-GWCFXTLKSA-N
MW340.25 g/mol
LogP4.07
Rot. Bonds3

About (3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone

(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone (PubChem CID 94796993) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone
PubChem CID94796993
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC Name(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H19Cl2NO2/c1-10-8-13(10)17(22)20-6-4-11(5-7-20)16(21)12-2-3-14(18)15(19)9-12/h2-3,9-11,13H,4-8H2,1H3/t10-,13-/m0/s1
InChIKeyWXNDFKXIAJAKMC-GWCFXTLKSA-N
XLogP4.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55980544
(3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone
CID 97239174
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
(3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone
CID 51123065
4-(3,4-dichlorobenzoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97007454
5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide
CID 56520872
1-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 55956642
(3,4-dichlorophenyl)-[1-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 55951019
methyl 2-[3-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-3-oxopropyl]sulfanylacetate
CID 56567769

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone (CID 94796993) is (3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone is C[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone?
The InChIKey is WXNDFKXIAJAKMC-GWCFXTLKSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-10-8-13(10)17(22)20-6-4-11(5-7-20)16(21)12-2-3-14(18)15(19)9-12/h2-3,9-11,13H,4-8H2,1H3/t10-,13-/m0/s1.
What are the key properties of (3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone?
(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone has a molecular weight of 340.25 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 94796993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).