2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

C16H27N3O3 — CID 56804709

IUPAC2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC1CC1C(=O)N1CCN(C(C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H27N3O3/c1-12-11-14(12)16(21)18-5-3-17(4-6-18)13(2)15(20)19-7-9-22-10-8-19/h12-14H,3-11H2,1-2H3
InChIKeyXKPOWSITRBQZQU-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.03
Rot. Bonds3

About 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 56804709) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID56804709
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC1CC1C(=O)N1CCN(C(C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H27N3O3/c1-12-11-14(12)16(21)18-5-3-17(4-6-18)13(2)15(20)19-7-9-22-10-8-19/h12-14H,3-11H2,1-2H3
InChIKeyXKPOWSITRBQZQU-UHFFFAOYSA-N
XLogP0.03
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 56804709) is 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is CC1CC1C(=O)N1CCN(C(C)C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is XKPOWSITRBQZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12-11-14(12)16(21)18-5-3-17(4-6-18)13(2)15(20)19-7-9-22-10-8-19/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 309.41 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 56804709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).