4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide

C25H29N3O4 — CID 135269682

IUPAC4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC1CN(C(=O)c2ccccc2C2=CCOCC2)CCN1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H29N3O4/c1-18-16-28(13-12-27(18)17-19-6-8-21(9-7-19)24(29)26-31)25(30)23-5-3-2-4-22(23)20-10-14-32-15-11-20/h2-10,18,31H,11-17H2,1H3,(H,26,29)
InChIKeyLUROOGRGSIBMIM-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.96
Rot. Bonds5

About 4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide

4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 135269682) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID135269682
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC1CN(C(=O)c2ccccc2C2=CCOCC2)CCN1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H29N3O4/c1-18-16-28(13-12-27(18)17-19-6-8-21(9-7-19)24(29)26-31)25(30)23-5-3-2-4-22(23)20-10-14-32-15-11-20/h2-10,18,31H,11-17H2,1H3,(H,26,29)
InChIKeyLUROOGRGSIBMIM-UHFFFAOYSA-N
XLogP2.96
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269704
methyl 4-[[(3R,5S)-4-[[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367219
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364
(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110657781
4-[[(3S,5R)-4-(2-chlorobenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367328
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718
4-[[(3R,5S)-3,5-dimethyl-4-[3-(morpholine-4-carbonyl)benzoyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 166937642
4-[[(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118374041
4-[[(3R,5S)-3,5-dimethyl-4-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367258
4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63574051
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide (CID 135269682) is 4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide is CC1CN(C(=O)c2ccccc2C2=CCOCC2)CCN1Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is LUROOGRGSIBMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-18-16-28(13-12-27(18)17-19-6-8-21(9-7-19)24(29)26-31)25(30)23-5-3-2-4-22(23)20-10-14-32-15-11-20/h2-10,18,31H,11-17H2,1H3,(H,26,29).
What are the key properties of 4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide?
4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 435.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(3,6-dihydro-2H-pyran-4-yl)benzoyl]-2-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135269682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).