3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one

C19H30N2O3 — CID 45196350

IUPAC3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCC1CCCN(C(=O)C2=CCCCC2)C1)N1CCOCC1
InChIInChI=1S/C19H30N2O3/c22-18(20-11-13-24-14-12-20)9-8-16-5-4-10-21(15-16)19(23)17-6-2-1-3-7-17/h6,16H,1-5,7-15H2
InChIKeyJTQGVGYGTRILED-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.36
Rot. Bonds4

About 3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one

3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 45196350) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID45196350
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCC1CCCN(C(=O)C2=CCCCC2)C1)N1CCOCC1
InChIInChI=1S/C19H30N2O3/c22-18(20-11-13-24-14-12-20)9-8-16-5-4-10-21(15-16)19(23)17-6-2-1-3-7-17/h6,16H,1-5,7-15H2
InChIKeyJTQGVGYGTRILED-UHFFFAOYSA-N
XLogP2.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (CID 45196350) is 3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCC1CCCN(C(=O)C2=CCCCC2)C1)N1CCOCC1.
What is the InChIKey of 3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is JTQGVGYGTRILED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c22-18(20-11-13-24-14-12-20)9-8-16-5-4-10-21(15-16)19(23)17-6-2-1-3-7-17/h6,16H,1-5,7-15H2.
What are the key properties of 3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 334.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexene-1-carbonyl)piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 45196350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).