2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione

C19H24N2O2 — CID 139204663

IUPAC2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione
SMILESO=C1c2cccc(N3CCCCC3)c2C(=O)N1C1CCCCC1
InChIInChI=1S/C19H24N2O2/c22-18-15-10-7-11-16(20-12-5-2-6-13-20)17(15)19(23)21(18)14-8-3-1-4-9-14/h7,10-11,14H,1-6,8-9,12-13H2
InChIKeyRNXRPKFNMUBBHZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.61
Rot. Bonds2

About 2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione

2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione (PubChem CID 139204663) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione
PubChem CID139204663
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione
SMILESO=C1c2cccc(N3CCCCC3)c2C(=O)N1C1CCCCC1
InChIInChI=1S/C19H24N2O2/c22-18-15-10-7-11-16(20-12-5-2-6-13-20)17(15)19(23)21(18)14-8-3-1-4-9-14/h7,10-11,14H,1-6,8-9,12-13H2
InChIKeyRNXRPKFNMUBBHZ-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclooctyl-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 42172001
2-cycloheptyl-4-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione
CID 42372193
1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 118756495
2-cyclodecylisoindole-1,3-dione
CID 123786237
7,18-dicyclohexyl-11,22-di(piperidin-1-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 15426328
(3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 42424487
1,8-di(piperidin-1-yl)anthracene-9,10-dione
CID 11314827
4-(azetidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 177002953
2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione
CID 42484756
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177190859
2-cyclohexyl-6-[4-[4-(2-cyclohexyl-1,3-dioxobenzo[de]isoquinolin-6-yl)phenyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 137492349
6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione
CID 18400496

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione?
The IUPAC name of 2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione (CID 139204663) is 2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione?
The canonical SMILES for 2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione is O=C1c2cccc(N3CCCCC3)c2C(=O)N1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione?
The InChIKey is RNXRPKFNMUBBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18-15-10-7-11-16(20-12-5-2-6-13-20)17(15)19(23)21(18)14-8-3-1-4-9-14/h7,10-11,14H,1-6,8-9,12-13H2.
What are the key properties of 2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione?
2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione has a molecular weight of 312.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione is sourced from PubChem (CID 139204663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).