3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride

C16H24Cl2N2O3 — CID 119428031

IUPAC3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)NC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-3-7-22-15-13(17)8-11(9-14(15)21-2)16(20)19-12-5-4-6-18-10-12;/h8-9,12,18H,3-7,10H2,1-2H3,(H,19,20);1H
InChIKeyUPXLMCHVPLDFJU-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.04
Rot. Bonds6

About 3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride

3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride (PubChem CID 119428031) has the molecular formula C16H24Cl2N2O3 and a molecular weight of 363.29 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
PubChem CID119428031
Molecular FormulaC16H24Cl2N2O3
Molecular Weight363.29 g/mol
Exact Mass362.12
IUPAC Name3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)NC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-3-7-22-15-13(17)8-11(9-14(15)21-2)16(20)19-12-5-4-6-18-10-12;/h8-9,12,18H,3-7,10H2,1-2H3,(H,19,20);1H
InChIKeyUPXLMCHVPLDFJU-UHFFFAOYSA-N
XLogP3.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
CID 119558430
3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450911
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
3-chloro-4-ethoxy-5-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120558006
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 120577293
4-isocyano-3,5-dimethoxy-N-piperidin-3-ylbenzamide
CID 177120927
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747
3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449468
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride?
The IUPAC name of 3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride (CID 119428031) is 3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride.
What is the SMILES notation for 3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride?
The canonical SMILES for 3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride is CCCOc1c(Cl)cc(C(=O)NC2CCCNC2)cc1OC.Cl.
What is the InChIKey of 3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride?
The InChIKey is UPXLMCHVPLDFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3.ClH/c1-3-7-22-15-13(17)8-11(9-14(15)21-2)16(20)19-12-5-4-6-18-10-12;/h8-9,12,18H,3-7,10H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride?
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride has a molecular weight of 363.29 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride is sourced from PubChem (CID 119428031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).