5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one

C15H19N3O2 — CID 102711455

IUPAC5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESNCC1CCN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H19N3O2/c16-9-10-3-5-18(6-4-10)15(20)11-1-2-13-12(7-11)8-14(19)17-13/h1-2,7,10H,3-6,8-9,16H2,(H,17,19)
InChIKeyMSGSQICDSCOSJI-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.99
Rot. Bonds2

About 5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one

5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one (PubChem CID 102711455) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
PubChem CID102711455
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
SMILESNCC1CCN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H19N3O2/c16-9-10-3-5-18(6-4-10)15(20)11-1-2-13-12(7-11)8-14(19)17-13/h1-2,7,10H,3-6,8-9,16H2,(H,17,19)
InChIKeyMSGSQICDSCOSJI-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

6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711454
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
[4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
CID 119423730
5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
CID 113356774
6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103806132
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103575914
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671
2-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidin-2-yl]acetic acid
CID 102710678
5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110809888
5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one (CID 102711455) is 5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one is NCC1CCN(C(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
The InChIKey is MSGSQICDSCOSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-9-10-3-5-18(6-4-10)15(20)11-1-2-13-12(7-11)8-14(19)17-13/h1-2,7,10H,3-6,8-9,16H2,(H,17,19).
What are the key properties of 5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one?
5-[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 5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 102711455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).