1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one

C22H33N3O3 — CID 56744139

IUPAC1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(N2CCCC3(CCN(C(=O)c4ccco4)C3)C2)CC1
InChIInChI=1S/C22H33N3O3/c1-17(2)20(26)23-11-6-18(7-12-23)24-10-4-8-22(15-24)9-13-25(16-22)21(27)19-5-3-14-28-19/h3,5,14,17-18H,4,6-13,15-16H2,1-2H3
InChIKeyTYXBRERPPPUPIP-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.85
Rot. Bonds3

About 1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 56744139) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID56744139
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(N2CCCC3(CCN(C(=O)c4ccco4)C3)C2)CC1
InChIInChI=1S/C22H33N3O3/c1-17(2)20(26)23-11-6-18(7-12-23)24-10-4-8-22(15-24)9-13-25(16-22)21(27)19-5-3-14-28-19/h3,5,14,17-18H,4,6-13,15-16H2,1-2H3
InChIKeyTYXBRERPPPUPIP-UHFFFAOYSA-N
XLogP2.85
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
furan-2-yl-[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methanone
CID 97370476
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 7026554
2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 71929615
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone
CID 129349488
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234690
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 56744139) is 1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(N2CCCC3(CCN(C(=O)c4ccco4)C3)C2)CC1.
What is the InChIKey of 1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is TYXBRERPPPUPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-17(2)20(26)23-11-6-18(7-12-23)24-10-4-8-22(15-24)9-13-25(16-22)21(27)19-5-3-14-28-19/h3,5,14,17-18H,4,6-13,15-16H2,1-2H3.
What are the key properties of 1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 387.52 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 56744139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).