(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone

C18H26N2O — CID 103998831

IUPAC(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C18H26N2O/c1-18(2,3)16-6-8-20(9-7-16)17(21)13-4-5-14-11-19-12-15(14)10-13/h4-5,10,16,19H,6-9,11-12H2,1-3H3
InChIKeyXDEWKYPYWSQKJJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.19
Rot. Bonds1

About (4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone

(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone (PubChem CID 103998831) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
PubChem CID103998831
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C18H26N2O/c1-18(2,3)16-6-8-20(9-7-16)17(21)13-4-5-14-11-19-12-15(14)10-13/h4-5,10,16,19H,6-9,11-12H2,1-3H3
InChIKeyXDEWKYPYWSQKJJ-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-isoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 115867074
(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091781
(4-tert-butylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628553
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540
2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957540
2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone
CID 103998035
2,3-dihydro-1H-isoindol-5-yl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 104872479
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 167876855
4-(2,3-dihydro-1H-isoindole-5-carbonyl)piperazine-2,6-dione
CID 103999097
(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone
CID 62179529
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 107217446
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

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone (CID 103998831) is (4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone is CC(C)(C)C1CCN(C(=O)c2ccc3c(c2)CNC3)CC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone?
The InChIKey is XDEWKYPYWSQKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2,3)16-6-8-20(9-7-16)17(21)13-4-5-14-11-19-12-15(14)10-13/h4-5,10,16,19H,6-9,11-12H2,1-3H3.
What are the key properties of (4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone?
(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone is sourced from PubChem (CID 103998831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).