2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione

C17H22N2O2 — CID 70929216

IUPAC2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione
SMILESC[C@H](CCN1C(=O)c2ccccc2C1=O)C1CCNCC1
InChIInChI=1S/C17H22N2O2/c1-12(13-6-9-18-10-7-13)8-11-19-16(20)14-4-2-3-5-15(14)17(19)21/h2-5,12-13,18H,6-11H2,1H3/t12-/m1/s1
InChIKeySPQYNACICHKYBH-GFCCVEGCSA-N
MW286.37 g/mol
LogP2.31
Rot. Bonds4

About 2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione

2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione (PubChem CID 70929216) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione
PubChem CID70929216
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione
SMILESC[C@H](CCN1C(=O)c2ccccc2C1=O)C1CCNCC1
InChIInChI=1S/C17H22N2O2/c1-12(13-6-9-18-10-7-13)8-11-19-16(20)14-4-2-3-5-15(14)17(19)21/h2-5,12-13,18H,6-11H2,1H3/t12-/m1/s1
InChIKeySPQYNACICHKYBH-GFCCVEGCSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119741133
2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione
CID 43607537
2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione
CID 63870873
2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 821234
2-[(3R,4S)-3-hydroxy-4-methyl-5-oxohexyl]isoindole-1,3-dione
CID 59923990
propan-2-yl 4-(1,3-dioxoisoindol-2-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoate
CID 14951029
4-(1,3-dioxoisoindol-2-yl)butan-2-yl methanesulfonate
CID 138695385
2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-3-piperidin-4-ylbutan-1-one
CID 119768937
2-(7-hydroxy-3,7-dimethyloctyl)isoindole-1,3-dione
CID 132513364
2-[cyclopropyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]propanoic acid
CID 122083156

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione (CID 70929216) is 2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione is C[C@H](CCN1C(=O)c2ccccc2C1=O)C1CCNCC1.
What is the InChIKey of 2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione?
The InChIKey is SPQYNACICHKYBH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(13-6-9-18-10-7-13)8-11-19-16(20)14-4-2-3-5-15(14)17(19)21/h2-5,12-13,18H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione?
2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione has a molecular weight of 286.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione is sourced from PubChem (CID 70929216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).