3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride

C22H29ClN2O4 — CID 119443555

IUPAC3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNCC2)cc(OC)c1OCc1ccccc1.Cl
InChIInChI=1S/C22H28N2O4.ClH/c1-24(18-9-11-23-12-10-18)22(25)17-13-19(26-2)21(20(14-17)27-3)28-15-16-7-5-4-6-8-16;/h4-8,13-14,18,23H,9-12,15H2,1-3H3;1H
InChIKeyVNQUAXBBCIRGRH-UHFFFAOYSA-N
MW420.94 g/mol
LogP3.53
Rot. Bonds7

About 3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride

3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119443555) has the molecular formula C22H29ClN2O4 and a molecular weight of 420.94 g/mol. Its IUPAC name is 3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119443555
Molecular FormulaC22H29ClN2O4
Molecular Weight420.94 g/mol
Exact Mass420.18
IUPAC Name3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNCC2)cc(OC)c1OCc1ccccc1.Cl
InChIInChI=1S/C22H28N2O4.ClH/c1-24(18-9-11-23-12-10-18)22(25)17-13-19(26-2)21(20(14-17)27-3)28-15-16-7-5-4-6-8-16;/h4-8,13-14,18,23H,9-12,15H2,1-3H3;1H
InChIKeyVNQUAXBBCIRGRH-UHFFFAOYSA-N
XLogP3.53
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide
CID 55534185
3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442005
3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119441173
3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443735
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
CID 72544793
2,6-dimethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602191
3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443779
N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119443754
3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide
CID 11719777
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441295

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride (CID 119443555) is 3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride is COc1cc(C(=O)N(C)C2CCNCC2)cc(OC)c1OCc1ccccc1.Cl.
What is the InChIKey of 3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is VNQUAXBBCIRGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4.ClH/c1-24(18-9-11-23-12-10-18)22(25)17-13-19(26-2)21(20(14-17)27-3)28-15-16-7-5-4-6-8-16;/h4-8,13-14,18,23H,9-12,15H2,1-3H3;1H.
What are the key properties of 3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride?
3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119443555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).