(10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate

C32H37NO9 — CID 123388174

IUPAC(10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESC=C1C2CCC3C45COC(O)(C(O)C4C(C)(C)CCC5=O)C34C(=O)C1(OC(=O)C1CCN(C(=O)c3ccco3)CC1)C24
InChIInChI=1S/C32H37NO9/c1-16-18-6-7-20-29-15-41-32(39,24(35)23(29)28(2,3)11-8-21(29)34)30(20)22(18)31(16,27(30)38)42-26(37)17-9-12-33(13-10-17)25(36)19-5-4-14-40-19/h4-5,14,17-18,20,22-24,35,39H,1,6-13,15H2,2-3H3
InChIKeyLCGYNQRISWEGNS-UHFFFAOYSA-N
MW579.65 g/mol
LogP2.28
Rot. Bonds3

About (10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate

(10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 123388174) has the molecular formula C32H37NO9 and a molecular weight of 579.65 g/mol. Its IUPAC name is (10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID123388174
Molecular FormulaC32H37NO9
Molecular Weight579.65 g/mol
Exact Mass579.25
IUPAC Name(10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESC=C1C2CCC3C45COC(O)(C(O)C4C(C)(C)CCC5=O)C34C(=O)C1(OC(=O)C1CCN(C(=O)c3ccco3)CC1)C24
InChIInChI=1S/C32H37NO9/c1-16-18-6-7-20-29-15-41-32(39,24(35)23(29)28(2,3)11-8-21(29)34)30(20)22(18)31(16,27(30)38)42-26(37)17-9-12-33(13-10-17)25(36)19-5-4-14-40-19/h4-5,14,17-18,20,22-24,35,39H,1,6-13,15H2,2-3H3
InChIKeyLCGYNQRISWEGNS-UHFFFAOYSA-N
XLogP2.28
TPSA143.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.65
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate with MolForge

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Related Compounds

1-(furan-2-carbonyl)-N-methoxy-N-methylpiperidine-4-carboxamide
CID 78814076
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55475565
(1R,10S,11R,12R,15S,21R)-4-(azepan-1-yl)-10,11,21-trihydroxy-8,8-dimethyl-14-methylidene-20-oxa-5-thia-3-azahexacyclo[9.7.2.112,15.01,9.02,6.012,18]henicosa-2(6),3-dien-13-one
CID 130307685
(3,4-dichlorophenyl)methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609681
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17477799
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158366
1-(furan-2-carbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 17447551
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609950
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 35378219
2-(2,6-dichlorophenoxy)ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609958
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207

Frequently Asked Questions

What is the IUPAC name of (10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of (10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 123388174) is (10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for (10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for (10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate is C=C1C2CCC3C45COC(O)(C(O)C4C(C)(C)CCC5=O)C34C(=O)C1(OC(=O)C1CCN(C(=O)c3ccco3)CC1)C24.
What is the InChIKey of (10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is LCGYNQRISWEGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO9/c1-16-18-6-7-20-29-15-41-32(39,24(35)23(29)28(2,3)11-8-21(29)34)30(20)22(18)31(16,27(30)38)42-26(37)17-9-12-33(13-10-17)25(36)19-5-4-14-40-19/h4-5,14,17-18,20,22-24,35,39H,1,6-13,15H2,2-3H3.
What are the key properties of (10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate?
(10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 579.65 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (10,11-dihydroxy-13,13-dimethyl-19-methylidene-8,16-dioxo-18-oxahexacyclo[8.6.2.15,7.01,12.02,9.06,9]nonadecan-7-yl) 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 123388174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).