3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

C21H34N2O3 — CID 45218567

IUPAC3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(C)CCN2CCC(CCC(=O)N3CCOCC3)CC2)o1
InChIInChI=1S/C21H34N2O3/c1-17(20-5-3-18(2)26-20)7-10-22-11-8-19(9-12-22)4-6-21(24)23-13-15-25-16-14-23/h3,5,17,19H,4,6-16H2,1-2H3
InChIKeyLDORLPAWFLUIGB-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.43
Rot. Bonds7

About 3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 45218567) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID45218567
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(C)CCN2CCC(CCC(=O)N3CCOCC3)CC2)o1
InChIInChI=1S/C21H34N2O3/c1-17(20-5-3-18(2)26-20)7-10-22-11-8-19(9-12-22)4-6-21(24)23-13-15-25-16-14-23/h3,5,17,19H,4,6-16H2,1-2H3
InChIKeyLDORLPAWFLUIGB-UHFFFAOYSA-N
XLogP3.43
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 45218567) is 3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is Cc1ccc(C(C)CCN2CCC(CCC(=O)N3CCOCC3)CC2)o1.
What is the InChIKey of 3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is LDORLPAWFLUIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-17(20-5-3-18(2)26-20)7-10-22-11-8-19(9-12-22)4-6-21(24)23-13-15-25-16-14-23/h3,5,17,19H,4,6-16H2,1-2H3.
What are the key properties of 3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 362.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 45218567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).