N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride

C21H26ClN3O2 — CID 119545134

IUPACN-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-22-15-16-11-13-24(14-12-16)21(26)18-9-5-6-10-19(18)23-20(25)17-7-3-2-4-8-17;/h2-10,16,22H,11-15H2,1H3,(H,23,25);1H
InChIKeyIUZAXEMPALQAKG-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.43
Rot. Bonds5

About N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride

N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride (PubChem CID 119545134) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
PubChem CID119545134
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-22-15-16-11-13-24(14-12-16)21(26)18-9-5-6-10-19(18)23-20(25)17-7-3-2-4-8-17;/h2-10,16,22H,11-15H2,1H3,(H,23,25);1H
InChIKeyIUZAXEMPALQAKG-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

N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
4-chloro-N-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119394700
[4-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119544892
N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119541237
N-[2-[4-(aminomethyl)piperidine-1-carbonyl]phenyl]-4-chlorobenzamide
CID 119422864
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119542097
N-[2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 46446186

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride (CID 119545134) is N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride is CNCC1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1.Cl.
What is the InChIKey of N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
The InChIKey is IUZAXEMPALQAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-22-15-16-11-13-24(14-12-16)21(26)18-9-5-6-10-19(18)23-20(25)17-7-3-2-4-8-17;/h2-10,16,22H,11-15H2,1H3,(H,23,25);1H.
What are the key properties of N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride?
N-[2-[4-(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-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119545134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).