6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one

C15H19N3O2 — CID 102711454

IUPAC6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESNCC1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)CC1
InChIInChI=1S/C15H19N3O2/c16-9-10-3-5-18(6-4-10)15(20)12-2-1-11-8-14(19)17-13(11)7-12/h1-2,7,10H,3-6,8-9,16H2,(H,17,19)
InChIKeyWIXFJRZXNFLOBI-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.99
Rot. Bonds2

About 6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one

6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one (PubChem CID 102711454) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
PubChem CID102711454
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESNCC1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)CC1
InChIInChI=1S/C15H19N3O2/c16-9-10-3-5-18(6-4-10)15(20)12-2-1-11-8-14(19)17-13(11)7-12/h1-2,7,10H,3-6,8-9,16H2,(H,17,19)
InChIKeyWIXFJRZXNFLOBI-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
6-(4-amino-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711641
4-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2,6-dione
CID 102712523
6-(4-ethyl-4-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102712356
N-[1-(2-oxo-1,3-dihydroindole-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 102712694
[4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
CID 119423730
6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711587
6-(2,6-dimethylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 102712422
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 102712720
6-(2-methylthiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 102712777
[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 63195172

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one (CID 102711454) is 6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one is NCC1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)CC1.
What is the InChIKey of 6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The InChIKey is WIXFJRZXNFLOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-9-10-3-5-18(6-4-10)15(20)12-2-1-11-8-14(19)17-13(11)7-12/h1-2,7,10H,3-6,8-9,16H2,(H,17,19).
What are the key properties of 6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one has a molecular weight of 273.34 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 102711454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).