N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide

C30H35N5O5 — CID 137397845

IUPACN-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide
SMILESCN1CC(=O)N2CCc3c(c4cc(OCCN5CCCCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)C2C1=O
InChIInChI=1S/C30H35N5O5/c1-32-19-26(36)34-14-11-25-27(28(34)30(32)38)23-17-22(40-16-15-33-12-3-2-4-13-33)9-10-24(23)35(25)18-20-5-7-21(8-6-20)29(37)31-39/h5-10,17,28,39H,2-4,11-16,18-19H2,1H3,(H,31,37)
InChIKeyROFSEICNTHSBME-UHFFFAOYSA-N
MW545.64 g/mol
LogP2.57
Rot. Bonds7

About N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide

N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide (PubChem CID 137397845) has the molecular formula C30H35N5O5 and a molecular weight of 545.64 g/mol. Its IUPAC name is N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide
PubChem CID137397845
Molecular FormulaC30H35N5O5
Molecular Weight545.64 g/mol
Exact Mass545.26
IUPAC NameN-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide
SMILESCN1CC(=O)N2CCc3c(c4cc(OCCN5CCCCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)C2C1=O
InChIInChI=1S/C30H35N5O5/c1-32-19-26(36)34-14-11-25-27(28(34)30(32)38)23-17-22(40-16-15-33-12-3-2-4-13-33)9-10-24(23)35(25)18-20-5-7-21(8-6-20)29(37)31-39/h5-10,17,28,39H,2-4,11-16,18-19H2,1H3,(H,31,37)
InChIKeyROFSEICNTHSBME-UHFFFAOYSA-N
XLogP2.57
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.64
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

10-[[4-(2-hydroxyacetyl)phenyl]methyl]-4-methyl-14-(2-morpholin-4-ylethoxy)-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene-3,5-dione;4-methyl-15-(2-morpholin-4-ylethoxy)-11-[(4-propanoylphenyl)methyl]-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene-3,6-dione
CID 161241144
tert-butyl 4-[(4-methyl-3,6-dioxo-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl)methyl]benzoate
CID 137397760
N-hydroxy-4-[(6-methyl-4,7-dioxo-3,6,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),13,15,17-tetraen-19-yl)methyl]benzamide
CID 130265519
4-[[1,14-dimethyl-5-(2-morpholin-4-ylethoxy)-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl]methyl]-N-hydroxybenzamide
CID 177379343
N-hydroxy-4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzamide;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]benzoic acid;4-[(4-methyl-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)methyl]-N-(oxan-2-yloxy)benzamide
CID 160999358
4-[[2-[2-(2-aminoethoxy)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide
CID 164771737
4-[(14-methyl-13,15-dioxo-5-propoxy-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzoic acid
CID 130238383
N-hydroxy-4-[(6-methoxy-15-methyl-16-oxo-10,13,15-triazatetracyclo[11.3.1.03,11.04,9]heptadeca-3(11),4(9),5,7-tetraen-10-yl)methyl]benzamide
CID 166835538
4-[[2-oxo-7-(2-piperidin-1-ylethoxy)-3,4-dihydroquinolin-1-yl]methyl]benzoic acid
CID 175305736
4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide
CID 71526559
tert-butyl 4-[[4-methyl-14-(3-morpholin-4-ylpropyl)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzoate
CID 155619113
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-(2-methoxyethoxymethoxy)-2-[4-(2-methoxyethoxymethoxy)phenyl]-3-methylindole
CID 153406433

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide (CID 137397845) is N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide is CN1CC(=O)N2CCc3c(c4cc(OCCN5CCCCC5)ccc4n3Cc3ccc(C(=O)NO)cc3)C2C1=O.
What is the InChIKey of N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide?
The InChIKey is ROFSEICNTHSBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O5/c1-32-19-26(36)34-14-11-25-27(28(34)30(32)38)23-17-22(40-16-15-33-12-3-2-4-13-33)9-10-24(23)35(25)18-20-5-7-21(8-6-20)29(37)31-39/h5-10,17,28,39H,2-4,11-16,18-19H2,1H3,(H,31,37).
What are the key properties of N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide?
N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide has a molecular weight of 545.64 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[4-methyl-3,6-dioxo-15-(2-piperidin-1-ylethoxy)-4,7,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraen-11-yl]methyl]benzamide is sourced from PubChem (CID 137397845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).