2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide

C9H19N3O2 — CID 112622411

IUPAC2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(OC)CC1CN
InChIInChI=1S/C9H19N3O2/c1-11-9(13)12-4-3-8(14-2)5-7(12)6-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyGLHDKQLZZRXLPP-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.24
Rot. Bonds2

About 2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide

2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide (PubChem CID 112622411) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
PubChem CID112622411
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(OC)CC1CN
InChIInChI=1S/C9H19N3O2/c1-11-9(13)12-4-3-8(14-2)5-7(12)6-10/h7-8H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyGLHDKQLZZRXLPP-UHFFFAOYSA-N
XLogP-0.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112622266
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 112622300
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-methylbut-2-en-1-one
CID 112622168
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]but-3-en-1-one
CID 112622247
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 112622258
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 112622398
methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate
CID 112622716
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 115963360
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 115963404
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 112622301

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide (CID 112622411) is 2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(OC)CC1CN.
What is the InChIKey of 2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide?
The InChIKey is GLHDKQLZZRXLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-11-9(13)12-4-3-8(14-2)5-7(12)6-10/h7-8H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide?
2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide has a molecular weight of 201.27 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 112622411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).