4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride

C18H28ClN3O3 — CID 120888912

IUPAC4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(CNC(C)=O)cc2)CCNCC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-14(22)20-11-15-3-5-16(6-4-15)17(23)21-12-18(13-24-2)7-9-19-10-8-18;/h3-6,19H,7-13H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyAQTKZMOWYFYUBS-UHFFFAOYSA-N
MW369.89 g/mol
LogP1.49
Rot. Bonds7

About 4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride

4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride (PubChem CID 120888912) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
PubChem CID120888912
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(CNC(C)=O)cc2)CCNCC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-14(22)20-11-15-3-5-16(6-4-15)17(23)21-12-18(13-24-2)7-9-19-10-8-18;/h3-6,19H,7-13H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyAQTKZMOWYFYUBS-UHFFFAOYSA-N
XLogP1.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 120889360
4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889912
N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621041
4-acetamido-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylsulfanylbenzamide;hydrochloride
CID 120887548
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887645
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride (CID 120888912) is 4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride is COCC1(CNC(=O)c2ccc(CNC(C)=O)cc2)CCNCC1.Cl.
What is the InChIKey of 4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The InChIKey is AQTKZMOWYFYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-14(22)20-11-15-3-5-16(6-4-15)17(23)21-12-18(13-24-2)7-9-19-10-8-18;/h3-6,19H,7-13H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of 4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 120888912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).