1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide

C14H21N3O2 — CID 81299079

IUPAC1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide
SMILESCOc1ccc(CN)c(N2CCCCC2C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-19-11-6-5-10(9-15)13(8-11)17-7-3-2-4-12(17)14(16)18/h5-6,8,12H,2-4,7,9,15H2,1H3,(H2,16,18)
InChIKeyHGEAXTRFLWKNSE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.00
Rot. Bonds4

About 1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide

1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide (PubChem CID 81299079) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide
PubChem CID81299079
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide
SMILESCOc1ccc(CN)c(N2CCCCC2C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-19-11-6-5-10(9-15)13(8-11)17-7-3-2-4-12(17)14(16)18/h5-6,8,12H,2-4,7,9,15H2,1H3,(H2,16,18)
InChIKeyHGEAXTRFLWKNSE-UHFFFAOYSA-N
XLogP1.00
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide
CID 81306763
[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine
CID 81298987
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 114016618
1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide
CID 80739485
[4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 81296520
1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
CID 62493299
1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 114849617
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methoxyphenyl]methanamine
CID 81299524
ethyl 1-(2-carbamothioyl-5-methoxyphenyl)pyrrolidine-2-carboxylate
CID 81298172
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
1-(5-amino-2-methylphenyl)piperidine-2-carboxamide
CID 55091464
1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide
CID 114061383

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide (CID 81299079) is 1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide is COc1ccc(CN)c(N2CCCCC2C(N)=O)c1.
What is the InChIKey of 1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide?
The InChIKey is HGEAXTRFLWKNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-11-6-5-10(9-15)13(8-11)17-7-3-2-4-12(17)14(16)18/h5-6,8,12H,2-4,7,9,15H2,1H3,(H2,16,18).
What are the key properties of 1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide?
1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide is sourced from PubChem (CID 81299079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).