4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C21H26Cl2N2O3 — CID 120556880

IUPAC4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCNCC2C)ccc1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C21H25ClN2O3.ClH/c1-14-12-23-10-9-18(14)24-21(25)16-5-8-19(20(11-16)26-2)27-13-15-3-6-17(22)7-4-15;/h3-8,11,14,18,23H,9-10,12-13H2,1-2H3,(H,24,25);1H
InChIKeyVPWVTRXFCKEVAH-UHFFFAOYSA-N
MW425.36 g/mol
LogP4.08
Rot. Bonds6

About 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120556880) has the molecular formula C21H26Cl2N2O3 and a molecular weight of 425.36 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120556880
Molecular FormulaC21H26Cl2N2O3
Molecular Weight425.36 g/mol
Exact Mass424.13
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCNCC2C)ccc1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C21H25ClN2O3.ClH/c1-14-12-23-10-9-18(14)24-21(25)16-5-8-19(20(11-16)26-2)27-13-15-3-6-17(22)7-4-15;/h3-8,11,14,18,23H,9-10,12-13H2,1-2H3,(H,24,25);1H
InChIKeyVPWVTRXFCKEVAH-UHFFFAOYSA-N
XLogP4.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120556500
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
3,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326349
3,5-dimethoxy-4-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556165
3-chloro-4-ethoxy-5-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120558006
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
4-ethoxy-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide
CID 120555572
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120556880) is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is COc1cc(C(=O)NC2CCNCC2C)ccc1OCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is VPWVTRXFCKEVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3.ClH/c1-14-12-23-10-9-18(14)24-21(25)16-5-8-19(20(11-16)26-2)27-13-15-3-6-17(22)7-4-15;/h3-8,11,14,18,23H,9-10,12-13H2,1-2H3,(H,24,25);1H.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 425.36 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120556880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).