2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride

C16H26ClN3O2 — CID 154900859

IUPAC2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride
SMILESCOc1c(C)cc(NC(=O)N2CCCCC2CN)cc1C.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-11-8-13(9-12(2)15(11)21-3)18-16(20)19-7-5-4-6-14(19)10-17;/h8-9,14H,4-7,10,17H2,1-3H3,(H,18,20);1H
InChIKeyCOKSJLSXYOHDQD-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.08
Rot. Bonds3

About 2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride

2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride (PubChem CID 154900859) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride
PubChem CID154900859
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride
SMILESCOc1c(C)cc(NC(=O)N2CCCCC2CN)cc1C.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-11-8-13(9-12(2)15(11)21-3)18-16(20)19-7-5-4-6-14(19)10-17;/h8-9,14H,4-7,10,17H2,1-3H3,(H,18,20);1H
InChIKeyCOKSJLSXYOHDQD-UHFFFAOYSA-N
XLogP3.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
(2S)-2-(aminomethyl)-N-[3-(butanoylamino)phenyl]piperidine-1-carboxamide
CID 125164189
(2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide
CID 97003639
2-(aminomethyl)-N-(4-fluorophenyl)azepane-1-carboxamide
CID 116640093
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
CID 119466542
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119468901
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 51134992
[2-(aminomethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
CID 119469301
[2-(aminomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119469424
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 72862130
[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
CID 119467051

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride (CID 154900859) is 2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride is COc1c(C)cc(NC(=O)N2CCCCC2CN)cc1C.Cl.
What is the InChIKey of 2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride?
The InChIKey is COKSJLSXYOHDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-11-8-13(9-12(2)15(11)21-3)18-16(20)19-7-5-4-6-14(19)10-17;/h8-9,14H,4-7,10,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride?
2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 154900859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).