N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide

C20H22Cl2N2O2 — CID 68934060

IUPACN-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCNCC2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-24(20(25)13-3-6-15(26-2)7-4-13)19-9-10-23-12-16(19)14-5-8-17(21)18(22)11-14/h3-8,11,16,19,23H,9-10,12H2,1-2H3
InChIKeyRDPLPSOXIHYJPJ-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.22
Rot. Bonds4

About N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide

N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide (PubChem CID 68934060) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide
PubChem CID68934060
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCNCC2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-24(20(25)13-3-6-15(26-2)7-4-13)19-9-10-23-12-16(19)14-5-8-17(21)18(22)11-14/h3-8,11,16,19,23H,9-10,12H2,1-2H3
InChIKeyRDPLPSOXIHYJPJ-UHFFFAOYSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide
CID 68935262
4-chloro-N-[(3S,4R)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methylbenzamide;hydrochloride
CID 68933912
4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
CID 68870525
N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide
CID 68935911
N-[(3R,4S)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 86631302
tert-butyl (3R,4R)-3-(3,4-dichlorophenyl)-4-[(4-methoxybenzoyl)-methylamino]piperidine-1-carboxylate
CID 86631352
N-[(4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide
CID 71699788
N-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 87629571
4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
CID 68930315
N-[(4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)-N-methylacetamide
CID 143913097
N-[3-(4-fluorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87629375
methyl (3R,4S)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 67232915

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide (CID 68934060) is N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C2CCNCC2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide?
The InChIKey is RDPLPSOXIHYJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-24(20(25)13-3-6-15(26-2)7-4-13)19-9-10-23-12-16(19)14-5-8-17(21)18(22)11-14/h3-8,11,16,19,23H,9-10,12H2,1-2H3.
What are the key properties of N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide?
N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide has a molecular weight of 393.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 68934060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).