[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C19H29N3O4 — CID 133120871

IUPAC[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(C1CCN(Cc2ccco2)CC1)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C19H29N3O4/c23-18-14-22(13-17(18)21-7-10-25-11-8-21)19(24)15-3-5-20(6-4-15)12-16-2-1-9-26-16/h1-2,9,15,17-18,23H,3-8,10-14H2/t17-,18-/m1/s1
InChIKeyHXOUNVVWTOELEC-QZTJIDSGSA-N
MW363.46 g/mol
LogP0.40
Rot. Bonds4

About [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone

[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 133120871) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID133120871
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(C1CCN(Cc2ccco2)CC1)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C19H29N3O4/c23-18-14-22(13-17(18)21-7-10-25-11-8-21)19(24)15-3-5-20(6-4-15)12-16-2-1-9-26-16/h1-2,9,15,17-18,23H,3-8,10-14H2/t17-,18-/m1/s1
InChIKeyHXOUNVVWTOELEC-QZTJIDSGSA-N
XLogP0.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56915482
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97201180
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
CID 97140501
[(5R)-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(oxan-4-yl)methanone
CID 97472191
(7R,10aS)-2-(cyclopropanecarbonyl)-9-(furan-2-ylmethyl)-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 97459480
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97187338
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 72840432
[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70758520

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 133120871) is [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone is O=C(C1CCN(Cc2ccco2)CC1)N1C[C@@H](O)[C@H](N2CCOCC2)C1.
What is the InChIKey of [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is HXOUNVVWTOELEC-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H29N3O4/c23-18-14-22(13-17(18)21-7-10-25-11-8-21)19(24)15-3-5-20(6-4-15)12-16-2-1-9-26-16/h1-2,9,15,17-18,23H,3-8,10-14H2/t17-,18-/m1/s1.
What are the key properties of [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 133120871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).