2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone

C16H22N2O — CID 103998035

IUPAC2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2ccc3c(c2)CNC3)C1
InChIInChI=1S/C16H22N2O/c1-2-12-4-3-7-18(11-12)16(19)13-5-6-14-9-17-10-15(14)8-13/h5-6,8,12,17H,2-4,7,9-11H2,1H3
InChIKeyOPZMVJODSMHCLX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.55
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone

2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone (PubChem CID 103998035) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone
PubChem CID103998035
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2ccc3c(c2)CNC3)C1
InChIInChI=1S/C16H22N2O/c1-2-12-4-3-7-18(11-12)16(19)13-5-6-14-9-17-10-15(14)8-13/h5-6,8,12,17H,2-4,7,9-11H2,1H3
InChIKeyOPZMVJODSMHCLX-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 34467098
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
2,3-dihydro-1H-inden-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422317
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998528
(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 55158690
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957540
(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998831
[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-(3-ethylpiperidin-1-yl)methanone
CID 81459935

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone (CID 103998035) is 2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)c2ccc3c(c2)CNC3)C1.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone?
The InChIKey is OPZMVJODSMHCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-12-4-3-7-18(11-12)16(19)13-5-6-14-9-17-10-15(14)8-13/h5-6,8,12,17H,2-4,7,9-11H2,1H3.
What are the key properties of 2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone?
2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 103998035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).