6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one

C26H34N4O4 — CID 139414703

IUPAC6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(CC(=O)N1CCC(O)(Cn2cnc(N3CC4CCOC4C3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C26H34N4O4/c1-19(20-5-3-2-4-6-20)13-24(31)28-10-8-26(33,9-11-28)17-30-18-27-23(14-25(30)32)29-15-21-7-12-34-22(21)16-29/h2-6,14,18-19,21-22,33H,7-13,15-17H2,1H3
InChIKeyWTKVPIUMDJBDHB-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.02
Rot. Bonds6

About 6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 139414703) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID139414703
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(CC(=O)N1CCC(O)(Cn2cnc(N3CC4CCOC4C3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C26H34N4O4/c1-19(20-5-3-2-4-6-20)13-24(31)28-10-8-26(33,9-11-28)17-30-18-27-23(14-25(30)32)29-15-21-7-12-34-22(21)16-29/h2-6,14,18-19,21-22,33H,7-13,15-17H2,1H3
InChIKeyWTKVPIUMDJBDHB-UHFFFAOYSA-N
XLogP2.02
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-[(3S)-3-aminopyrrolidin-1-yl]-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 134451231
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-[3-(methoxymethyl)azetidin-1-yl]pyrimidin-4-one
CID 139414698
6-(4-aminopiperidin-1-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one;hydrochloride
CID 139414747
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-one
CID 139414706
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-methylpyrimidin-4-one
CID 166555545
6-(2,8-diazaspiro[4.5]decan-8-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 139414805
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-4-one
CID 139414729
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 139414925
6-[2-(dimethylamino)ethyl-methylamino]-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 139415035
3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one
CID 134218638
3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-[2-(propan-2-ylamino)ethylamino]pyrimidin-4-one
CID 139414723
6-[(3S)-3-(dimethylamino)piperidin-1-yl]-3-[[4-hydroxy-1-[(3S)-3-phenylpent-4-ynoyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 134451327

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 139414703) is 6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one is CC(CC(=O)N1CCC(O)(Cn2cnc(N3CC4CCOC4C3)cc2=O)CC1)c1ccccc1.
What is the InChIKey of 6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is WTKVPIUMDJBDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-19(20-5-3-2-4-6-20)13-24(31)28-10-8-26(33,9-11-28)17-30-18-27-23(14-25(30)32)29-15-21-7-12-34-22(21)16-29/h2-6,14,18-19,21-22,33H,7-13,15-17H2,1H3.
What are the key properties of 6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 466.58 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 139414703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).