2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide

C19H29ClN2O2 — CID 142325162

IUPAC2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCC(C)(C)CC2CCNCC2)cc1Cl
InChIInChI=1S/C19H29ClN2O2/c1-19(2,12-14-7-9-21-10-8-14)13-24-15-5-6-16(17(20)11-15)18(23)22(3)4/h5-6,11,14,21H,7-10,12-13H2,1-4H3
InChIKeyOSRFVMMIYJKIKS-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.84
Rot. Bonds6

About 2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide

2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide (PubChem CID 142325162) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide
PubChem CID142325162
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCC(C)(C)CC2CCNCC2)cc1Cl
InChIInChI=1S/C19H29ClN2O2/c1-19(2,12-14-7-9-21-10-8-14)13-24-15-5-6-16(17(20)11-15)18(23)22(3)4/h5-6,11,14,21H,7-10,12-13H2,1-4H3
InChIKeyOSRFVMMIYJKIKS-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane
CID 142320936
4-[3-(6-azaspiro[2.5]octan-2-yl)propoxy]-2-chloro-N,N-dimethylbenzamide
CID 155024335
4-[3-[(2S)-6-azaspiro[2.5]octan-2-yl]propoxy]-2-chloro-N,N-dimethylbenzamide
CID 134434143
2-chloro-N,N-dimethyl-4-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]butoxy]benzamide
CID 155039598
[2-chloro-4-(2-methylpropoxy)phenyl]-piperidin-4-ylmethanone
CID 82551740
2-chloro-4-[4-[1-[(2R)-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]butoxy]-N,N-dimethylbenzamide
CID 155024329
2-chloro-N,N-dimethyl-4-[methyl-(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
CID 166030852
2-chloro-4-(ethylaminooxy)-N,N-dimethylbenzamide
CID 134434243
2-tert-butyl-4-[4-[3-chloro-4-(dimethylcarbamoyl)phenoxy]-1,1-difluorobutyl]piperidine-1-carboxylic acid
CID 155024346
2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride
CID 119718978
4-tert-butyl-2-chloro-N,N-dimethylbenzamide
CID 69030370
[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate
CID 175326485

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide (CID 142325162) is 2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(OCC(C)(C)CC2CCNCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide?
The InChIKey is OSRFVMMIYJKIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-19(2,12-14-7-9-21-10-8-14)13-24-15-5-6-16(17(20)11-15)18(23)22(3)4/h5-6,11,14,21H,7-10,12-13H2,1-4H3.
What are the key properties of 2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide?
2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide has a molecular weight of 352.91 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2-dimethyl-3-piperidin-4-ylpropoxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 142325162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).