4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one

C15H19N3O2 — CID 167990829

IUPAC4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one
SMILESNCC1CCCN(C(=O)c2cccc3c2CNC3=O)C1
InChIInChI=1S/C15H19N3O2/c16-7-10-3-2-6-18(9-10)15(20)12-5-1-4-11-13(12)8-17-14(11)19/h1,4-5,10H,2-3,6-9,16H2,(H,17,19)
InChIKeyODANSBHUWMWJAD-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.74
Rot. Bonds2

About 4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one

4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one (PubChem CID 167990829) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one
PubChem CID167990829
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one
SMILESNCC1CCCN(C(=O)c2cccc3c2CNC3=O)C1
InChIInChI=1S/C15H19N3O2/c16-7-10-3-2-6-18(9-10)15(20)12-5-1-4-11-13(12)8-17-14(11)19/h1,4-5,10H,2-3,6-9,16H2,(H,17,19)
InChIKeyODANSBHUWMWJAD-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
[3-(aminomethyl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 79217119
[3-(aminomethyl)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119464998
[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 119465103
[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone
CID 28766858
[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755
[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062936
[3-(bromomethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830750
3-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95559981

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one (CID 167990829) is 4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one is NCC1CCCN(C(=O)c2cccc3c2CNC3=O)C1.
What is the InChIKey of 4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one?
The InChIKey is ODANSBHUWMWJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-7-10-3-2-6-18(9-10)15(20)12-5-1-4-11-13(12)8-17-14(11)19/h1,4-5,10H,2-3,6-9,16H2,(H,17,19).
What are the key properties of 4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one?
4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one has a molecular weight of 273.34 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 167990829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).