N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide

C25H31N3O3 — CID 118212164

IUPACN-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCN1CCCC(CO)C1
InChIInChI=1S/C25H31N3O3/c1-18-23(15-19-8-10-21(11-9-19)25(30)26-31)22-6-2-3-7-24(22)28(18)14-13-27-12-4-5-20(16-27)17-29/h2-3,6-11,20,29,31H,4-5,12-17H2,1H3,(H,26,30)
InChIKeyLJVZZIQGZGCKAU-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.36
Rot. Bonds7

About N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide

N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide (PubChem CID 118212164) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide
PubChem CID118212164
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCN1CCCC(CO)C1
InChIInChI=1S/C25H31N3O3/c1-18-23(15-19-8-10-21(11-9-19)25(30)26-31)22-6-2-3-7-24(22)28(18)14-13-27-12-4-5-20(16-27)17-29/h2-3,6-11,20,29,31H,4-5,12-17H2,1H3,(H,26,30)
InChIKeyLJVZZIQGZGCKAU-UHFFFAOYSA-N
XLogP3.36
TPSA77.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.36
H-Bond Donors ≤ 53
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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Related Compounds

4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
CID 118211852
N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide
CID 118211597
4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
CID 118212106
methyl 4-[[2-methyl-1-(2-piperazin-1-ylethyl)indol-3-yl]methyl]benzoate;hydrochloride
CID 118211796
4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
CID 118211667
methyl 4-[[1-[[3-(fluoromethyl)pyrrolidin-1-yl]iodanuidylmethyl]-2-methylindol-3-yl]methyl]benzoate
CID 148910139
methyl 4-[[1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylindol-3-yl]methyl]benzoate
CID 118211888
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
methyl 4-[[1-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-2-methylindol-3-yl]methyl]benzoate
CID 118212073
methyl 4-[[1-[2-[(3R)-4-(2-fluoro-2-methylpropyl)-3-methyl-5-methylidenepiperazin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzoate
CID 144880095
2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 46996855
methyl 4-[[1-[[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]methyl]-2-methylindol-3-yl]methyl]benzoate
CID 118211927

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide (CID 118212164) is N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide is Cc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCN1CCCC(CO)C1.
What is the InChIKey of N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide?
The InChIKey is LJVZZIQGZGCKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18-23(15-19-8-10-21(11-9-19)25(30)26-31)22-6-2-3-7-24(22)28(18)14-13-27-12-4-5-20(16-27)17-29/h2-3,6-11,20,29,31H,4-5,12-17H2,1H3,(H,26,30).
What are the key properties of N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide?
N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide has a molecular weight of 421.54 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide is sourced from PubChem (CID 118212164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).