N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide

C28H35N3O3 — CID 118211597

IUPACN-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CC1CCN(CC2(C)COC2)CC1
InChIInChI=1S/C28H35N3O3/c1-20-25(15-21-7-9-23(10-8-21)27(32)29-33)24-5-3-4-6-26(24)31(20)16-22-11-13-30(14-12-22)17-28(2)18-34-19-28/h3-10,22,33H,11-19H2,1-2H3,(H,29,32)
InChIKeyGXHKADGUDASNGH-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.41
Rot. Bonds7

About N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide

N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide (PubChem CID 118211597) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide
PubChem CID118211597
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC NameN-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CC1CCN(CC2(C)COC2)CC1
InChIInChI=1S/C28H35N3O3/c1-20-25(15-21-7-9-23(10-8-21)27(32)29-33)24-5-3-4-6-26(24)31(20)16-22-11-13-30(14-12-22)17-28(2)18-34-19-28/h3-10,22,33H,11-19H2,1-2H3,(H,29,32)
InChIKeyGXHKADGUDASNGH-UHFFFAOYSA-N
XLogP4.41
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide (CID 118211597) is N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide is Cc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CC1CCN(CC2(C)COC2)CC1.
What is the InChIKey of N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide?
The InChIKey is GXHKADGUDASNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-20-25(15-21-7-9-23(10-8-21)27(32)29-33)24-5-3-4-6-26(24)31(20)16-22-11-13-30(14-12-22)17-28(2)18-34-19-28/h3-10,22,33H,11-19H2,1-2H3,(H,29,32).
What are the key properties of N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide?
N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide has a molecular weight of 461.61 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide is sourced from PubChem (CID 118211597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).