5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one

C15H18N2O2 — CID 158204388

IUPAC5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one
SMILESNC1CCN(C(=O)c2ccc3c(c2)CC(=O)C3)CC1
InChIInChI=1S/C15H18N2O2/c16-13-3-5-17(6-4-13)15(19)11-2-1-10-8-14(18)9-12(10)7-11/h1-2,7,13H,3-6,8-9,16H2
InChIKeyGBHYNYSPZWCOIA-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds1

About 5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one

5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one (PubChem CID 158204388) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one
PubChem CID158204388
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one
SMILESNC1CCN(C(=O)c2ccc3c(c2)CC(=O)C3)CC1
InChIInChI=1S/C15H18N2O2/c16-13-3-5-17(6-4-13)15(19)11-2-1-10-8-14(18)9-12(10)7-11/h1-2,7,13H,3-6,8-9,16H2
InChIKeyGBHYNYSPZWCOIA-UHFFFAOYSA-N
XLogP0.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
5-(4-aminopiperidine-1-carbonyl)pyran-2-one
CID 43556219
(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119376292
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
(4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride
CID 119376696
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanone
CID 68590313
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711454
6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103806132

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one?
The IUPAC name of 5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one (CID 158204388) is 5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one.
What is the SMILES notation for 5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one?
The canonical SMILES for 5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one is NC1CCN(C(=O)c2ccc3c(c2)CC(=O)C3)CC1.
What is the InChIKey of 5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one?
The InChIKey is GBHYNYSPZWCOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-13-3-5-17(6-4-13)15(19)11-2-1-10-8-14(18)9-12(10)7-11/h1-2,7,13H,3-6,8-9,16H2.
What are the key properties of 5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one?
5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one has a molecular weight of 258.32 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one is sourced from PubChem (CID 158204388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).