cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C15H22N2O3 — CID 86809257

IUPACcyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(C1C2CCC(C2)N1C(=O)C1CC1)N1CCOCC1
InChIInChI=1S/C15H22N2O3/c18-14(10-1-2-10)17-12-4-3-11(9-12)13(17)15(19)16-5-7-20-8-6-16/h10-13H,1-9H2
InChIKeyQXIDOMZKENUREL-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.63
Rot. Bonds2

About cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone

cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 86809257) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID86809257
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namecyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(C1C2CCC(C2)N1C(=O)C1CC1)N1CCOCC1
InChIInChI=1S/C15H22N2O3/c18-14(10-1-2-10)17-12-4-3-11(9-12)13(17)15(19)16-5-7-20-8-6-16/h10-13H,1-9H2
InChIKeyQXIDOMZKENUREL-UHFFFAOYSA-N
XLogP0.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 167777866
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone
CID 110849366
[(1S,3R,4S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-azabicyclo[2.2.1]heptan-3-yl]-morpholin-4-ylmethanone
CID 98159340
morpholin-4-yl(oxetan-2-yl)methanone
CID 130874953
4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63783007
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672794
(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
CID 164918983
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone
CID 122269046

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 86809257) is cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone is O=C(C1C2CCC(C2)N1C(=O)C1CC1)N1CCOCC1.
What is the InChIKey of cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is QXIDOMZKENUREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(10-1-2-10)17-12-4-3-11(9-12)13(17)15(19)16-5-7-20-8-6-16/h10-13H,1-9H2.
What are the key properties of cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 278.35 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 86809257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).