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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25446255
3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 42556966
5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
CID 74239558
3-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 86773884
2-(3-chlorophenoxy)-1-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one
CID 45189623
3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 26329389
3-[5-[3-(5-methylfuran-2-yl)butyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56886037
3-[5-[(3R)-3-(5-methylfuran-2-yl)butyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 95873784
methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate
CID 25450495
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218058
(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
CID 95093847
(3S)-3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 99853283

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).