1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide

C16H25N3O2 — CID 65338326

IUPAC1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(N)=O)CCC2C)cc1CN
InChIInChI=1S/C16H25N3O2/c1-11-3-5-13(16(18)20)10-19(11)9-12-4-6-15(21-2)14(7-12)8-17/h4,6-7,11,13H,3,5,8-10,17H2,1-2H3,(H2,18,20)
InChIKeyUXNTXURRLJKTLU-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.24
Rot. Bonds5

About 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide

1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide (PubChem CID 65338326) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide
PubChem CID65338326
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CN2CC(C(N)=O)CCC2C)cc1CN
InChIInChI=1S/C16H25N3O2/c1-11-3-5-13(16(18)20)10-19(11)9-12-4-6-15(21-2)14(7-12)8-17/h4,6-7,11,13H,3,5,8-10,17H2,1-2H3,(H2,18,20)
InChIKeyUXNTXURRLJKTLU-UHFFFAOYSA-N
XLogP1.24
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
[5-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340989
1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124337
1-[(3-amino-4-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 115557109
1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 54989482
[2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 114592331
1-[[3-(hydrazinecarbonyl)phenyl]methyl]-6-methylpiperidine-3-carboxamide
CID 63585615
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 106785169
[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
1-[4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperazin-1-yl]ethanone
CID 65340739

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide (CID 65338326) is 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide is COc1ccc(CN2CC(C(N)=O)CCC2C)cc1CN.
What is the InChIKey of 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is UXNTXURRLJKTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-3-5-13(16(18)20)10-19(11)9-12-4-6-15(21-2)14(7-12)8-17/h4,6-7,11,13H,3,5,8-10,17H2,1-2H3,(H2,18,20).
What are the key properties of 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide?
1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 65338326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).