N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride

C21H26ClN3O2 — CID 119397607

IUPACN-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-22-14-16-6-5-13-24(15-16)21(26)18-9-11-19(12-10-18)23-20(25)17-7-3-2-4-8-17;/h2-4,7-12,16,22H,5-6,13-15H2,1H3,(H,23,25);1H
InChIKeyGAMCGBMRKZVBAC-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.43
Rot. Bonds5

About N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride

N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride (PubChem CID 119397607) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
PubChem CID119397607
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-22-14-16-6-5-13-24(15-16)21(26)18-9-11-19(12-10-18)23-20(25)17-7-3-2-4-8-17;/h2-4,7-12,16,22H,5-6,13-15H2,1H3,(H,23,25);1H
InChIKeyGAMCGBMRKZVBAC-UHFFFAOYSA-N
XLogP3.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119397639
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119397904
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428
N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119541237
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(4-benzylsulfanylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398266
4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119394700
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The IUPAC name of N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride (CID 119397607) is N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride is CNCC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1.Cl.
What is the InChIKey of N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The InChIKey is GAMCGBMRKZVBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-22-14-16-6-5-13-24(15-16)21(26)18-9-11-19(12-10-18)23-20(25)17-7-3-2-4-8-17;/h2-4,7-12,16,22H,5-6,13-15H2,1H3,(H,23,25);1H.
What are the key properties of N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119397607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).