1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide

C16H23N3O2 — CID 81312924

IUPAC1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H23N3O2/c1-11-6-7-14(16(18)21)10-19(11)15(20)8-12-4-2-3-5-13(12)9-17/h2-5,11,14H,6-10,17H2,1H3,(H2,18,21)
InChIKeyJFLKAUIYNDEHPG-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.80
Rot. Bonds4

About 1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide

1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide (PubChem CID 81312924) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
PubChem CID81312924
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H23N3O2/c1-11-6-7-14(16(18)21)10-19(11)15(20)8-12-4-2-3-5-13(12)9-17/h2-5,11,14H,6-10,17H2,1H3,(H2,18,21)
InChIKeyJFLKAUIYNDEHPG-UHFFFAOYSA-N
XLogP0.80
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide (CID 81312924) is 1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is JFLKAUIYNDEHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-6-7-14(16(18)21)10-19(11)15(20)8-12-4-2-3-5-13(12)9-17/h2-5,11,14H,6-10,17H2,1H3,(H2,18,21).
What are the key properties of 1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide?
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 81312924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).