[1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

C20H26N2O5 — CID 91837500

IUPAC[1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)o1
InChIInChI=1S/C20H26N2O5/c1-20(2,25)8-7-16-5-6-17(27-16)19(24)22-9-3-4-15(14-22)18(23)21-10-12-26-13-11-21/h5-6,15,25H,3-4,9-14H2,1-2H3
InChIKeyKUPNRPUCQLBZDK-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.11
Rot. Bonds2

About [1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 91837500) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is [1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID91837500
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name[1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)o1
InChIInChI=1S/C20H26N2O5/c1-20(2,25)8-7-16-5-6-17(27-16)19(24)22-9-3-4-15(14-22)18(23)21-10-12-26-13-11-21/h5-6,15,25H,3-4,9-14H2,1-2H3
InChIKeyKUPNRPUCQLBZDK-UHFFFAOYSA-N
XLogP1.11
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-5-[(3S)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 95190607
[(3R)-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95891625
[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329391
[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119277068
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42557854
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone;oxolane
CID 90485120
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 55517643
[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 70779312
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
2-[(3R)-4-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]morpholin-3-yl]acetic acid
CID 95712931
[1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55615893

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 91837500) is [1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is CC(C)(O)C#Cc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)o1.
What is the InChIKey of [1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is KUPNRPUCQLBZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-20(2,25)8-7-16-5-6-17(27-16)19(24)22-9-3-4-15(14-22)18(23)21-10-12-26-13-11-21/h5-6,15,25H,3-4,9-14H2,1-2H3.
What are the key properties of [1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 374.44 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91837500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).