3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione

C31H35N3O5 — CID 177018197

IUPAC3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione
SMILESCCC12Cc3c(ccc4c3CN(C3CCC(=O)NC3=O)C4=O)C1(O)CCN(Cc1ccc(OC3CC3)cc1)C2
InChIInChI=1S/C31H35N3O5/c1-2-30-15-23-24-17-34(26-11-12-27(35)32-28(26)36)29(37)22(24)9-10-25(23)31(30,38)13-14-33(18-30)16-19-3-5-20(6-4-19)39-21-7-8-21/h3-6,9-10,21,26,38H,2,7-8,11-18H2,1H3,(H,32,35,36)
InChIKeyHFPMMFPFOXVOMM-UHFFFAOYSA-N
MW529.64 g/mol
LogP3.03
Rot. Bonds6

About 3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione

3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione (PubChem CID 177018197) has the molecular formula C31H35N3O5 and a molecular weight of 529.64 g/mol. Its IUPAC name is 3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione
PubChem CID177018197
Molecular FormulaC31H35N3O5
Molecular Weight529.64 g/mol
Exact Mass529.26
IUPAC Name3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione
SMILESCCC12Cc3c(ccc4c3CN(C3CCC(=O)NC3=O)C4=O)C1(O)CCN(Cc1ccc(OC3CC3)cc1)C2
InChIInChI=1S/C31H35N3O5/c1-2-30-15-23-24-17-34(26-11-12-27(35)32-28(26)36)29(37)22(24)9-10-25(23)31(30,38)13-14-33(18-30)16-19-3-5-20(6-4-19)39-21-7-8-21/h3-6,9-10,21,26,38H,2,7-8,11-18H2,1H3,(H,32,35,36)
InChIKeyHFPMMFPFOXVOMM-UHFFFAOYSA-N
XLogP3.03
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[2-[1-[(4-ethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177175020
(3S)-3-[(2R)-5,7-diethyl-16-fluoro-2-hydroxy-12-oxo-5,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),9,11(15)-trien-13-yl]piperidine-2,6-dione
CID 177018246
4-[[4-[2-(2,6-dioxopiperidin-3-yl)-4-methyl-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]benzonitrile
CID 177017709
3-[6-(2-ethyl-5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-7-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177017638
3-[2-[(4R)-1-benzyl-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177018041
3-[6-(1-benzyl-4-hydroxypiperidin-4-yl)-3-oxo-7-(trifluoromethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177017756
3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154670624
3-[2-[(4R)-4-hydroxy-3,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177018242
3-[1'-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 170279639
4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide
CID 169201456
4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide
CID 177175099
3-[2-[4-hydroxy-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 177175125

Frequently Asked Questions

What is the IUPAC name of 3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione?
The IUPAC name of 3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione (CID 177018197) is 3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione is CCC12Cc3c(ccc4c3CN(C3CCC(=O)NC3=O)C4=O)C1(O)CCN(Cc1ccc(OC3CC3)cc1)C2.
What is the InChIKey of 3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione?
The InChIKey is HFPMMFPFOXVOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O5/c1-2-30-15-23-24-17-34(26-11-12-27(35)32-28(26)36)29(37)22(24)9-10-25(23)31(30,38)13-14-33(18-30)16-19-3-5-20(6-4-19)39-21-7-8-21/h3-6,9-10,21,26,38H,2,7-8,11-18H2,1H3,(H,32,35,36).
What are the key properties of 3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione?
3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione has a molecular weight of 529.64 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[13-[(4-cyclopropyloxyphenyl)methyl]-15-ethyl-10-hydroxy-5-oxo-4,13-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),7-trien-4-yl]piperidine-2,6-dione is sourced from PubChem (CID 177018197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).