4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C22H30ClN3O — CID 119444091

IUPAC4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C22H29N3O.ClH/c1-3-25(17-18-7-5-4-6-8-18)21-11-9-19(10-12-21)22(26)24(2)20-13-15-23-16-14-20;/h4-12,20,23H,3,13-17H2,1-2H3;1H
InChIKeyVPSMQWHCDJJKPG-UHFFFAOYSA-N
MW387.96 g/mol
LogP3.96
Rot. Bonds6

About 4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119444091) has the molecular formula C22H30ClN3O and a molecular weight of 387.96 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119444091
Molecular FormulaC22H30ClN3O
Molecular Weight387.96 g/mol
Exact Mass387.21
IUPAC Name4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C22H29N3O.ClH/c1-3-25(17-18-7-5-4-6-8-18)21-11-9-19(10-12-21)22(26)24(2)20-13-15-23-16-14-20;/h4-12,20,23H,3,13-17H2,1-2H3;1H
InChIKeyVPSMQWHCDJJKPG-UHFFFAOYSA-N
XLogP3.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.96
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
CID 119444660
4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442569
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443555
4-[benzyl(piperidin-4-yl)amino]benzamide
CID 174618733
1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
CID 39381681
4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443676
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[benzyl(ethyl)amino]benzamide
CID 119458968
4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119444091) is 4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is CCN(Cc1ccccc1)c1ccc(C(=O)N(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of 4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is VPSMQWHCDJJKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.ClH/c1-3-25(17-18-7-5-4-6-8-18)21-11-9-19(10-12-21)22(26)24(2)20-13-15-23-16-14-20;/h4-12,20,23H,3,13-17H2,1-2H3;1H.
What are the key properties of 4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 387.96 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119444091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).