N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride

C17H26ClN3O2 — CID 119597061

IUPACN-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(C(=O)N2CCCC(C)C2CN)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12-4-3-9-20(16(12)10-18)17(22)15-7-5-14(6-8-15)11-19-13(2)21;/h5-8,12,16H,3-4,9-11,18H2,1-2H3,(H,19,21);1H
InChIKeyXNFQXGVBYBCELH-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.94
Rot. Bonds4

About N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride

N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride (PubChem CID 119597061) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
PubChem CID119597061
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(C(=O)N2CCCC(C)C2CN)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12-4-3-9-20(16(12)10-18)17(22)15-7-5-14(6-8-15)11-19-13(2)21;/h5-8,12,16H,3-4,9-11,18H2,1-2H3,(H,19,21);1H
InChIKeyXNFQXGVBYBCELH-UHFFFAOYSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
CID 124696949
N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 119649550
2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide
CID 107654129
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119597224
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
CID 119597231
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705006
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;hydrochloride
CID 119596951
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 102783565

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride (CID 119597061) is N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride is CC(=O)NCc1ccc(C(=O)N2CCCC(C)C2CN)cc1.Cl.
What is the InChIKey of N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
The InChIKey is XNFQXGVBYBCELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12-4-3-9-20(16(12)10-18)17(22)15-7-5-14(6-8-15)11-19-13(2)21;/h5-8,12,16H,3-4,9-11,18H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119597061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).