ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione

C14H24N2O2 — CID 177198142

IUPACethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
SMILESCC.CC.O=C1CCC(c2cccnc2)C(=O)N1.[H][H]
InChIInChI=1S/C10H10N2O2.2C2H6.H2/c13-9-4-3-8(10(14)12-9)7-2-1-5-11-6-7;2*1-2;/h1-2,5-6,8H,3-4H2,(H,12,13,14);2*1-2H3;1H
InChIKeyBKPZKSHAUIQTHJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.90
Rot. Bonds1

About ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione

ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione (PubChem CID 177198142) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione.

Molecular Properties

Compound Nameethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
PubChem CID177198142
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nameethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
SMILESCC.CC.O=C1CCC(c2cccnc2)C(=O)N1.[H][H]
InChIInChI=1S/C10H10N2O2.2C2H6.H2/c13-9-4-3-8(10(14)12-9)7-2-1-5-11-6-7;2*1-2;/h1-2,5-6,8H,3-4H2,(H,12,13,14);2*1-2H3;1H
InChIKeyBKPZKSHAUIQTHJ-UHFFFAOYSA-N
XLogP2.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.90
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

(3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404885
3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
CID 167474889
6-pyridin-3-yldiazinan-3-one
CID 20559353
CID 87171293
CID 87171293
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(6-amino-3-pyridinyl)piperidine-2,6-dione;hydrochloride
CID 166552755
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
CID 177052361
CID 177052361
3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione
CID 79321168
ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione
CID 171565294
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
3-pyridin-3-ylcyclopentan-1-one
CID 59265971

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione?
The IUPAC name of ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione (CID 177198142) is ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione.
What is the SMILES notation for ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione?
The canonical SMILES for ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione is CC.CC.O=C1CCC(c2cccnc2)C(=O)N1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione?
The InChIKey is BKPZKSHAUIQTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.2C2H6.H2/c13-9-4-3-8(10(14)12-9)7-2-1-5-11-6-7;2*1-2;/h1-2,5-6,8H,3-4H2,(H,12,13,14);2*1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione?
ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione has a molecular weight of 252.36 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione is sourced from PubChem (CID 177198142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).