N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide

C26H35N3O3 — CID 144920710

IUPACN-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide
SMILESCC/C=C(\OC)c1ccccc1CN1C(C)CN(Cc2ccc(C(=O)NO)cc2)CC1C
InChIInChI=1S/C26H35N3O3/c1-5-8-25(32-4)24-10-7-6-9-23(24)18-29-19(2)15-28(16-20(29)3)17-21-11-13-22(14-12-21)26(30)27-31/h6-14,19-20,31H,5,15-18H2,1-4H3,(H,27,30)/b25-8-
InChIKeyHBDJFTNJESRWGS-JAHAZDFLSA-N
MW437.58 g/mol
LogP4.30
Rot. Bonds8

About N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide

N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide (PubChem CID 144920710) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide
PubChem CID144920710
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide
SMILESCC/C=C(\OC)c1ccccc1CN1C(C)CN(Cc2ccc(C(=O)NO)cc2)CC1C
InChIInChI=1S/C26H35N3O3/c1-5-8-25(32-4)24-10-7-6-9-23(24)18-29-19(2)15-28(16-20(29)3)17-21-11-13-22(14-12-21)26(30)27-31/h6-14,19-20,31H,5,15-18H2,1-4H3,(H,27,30)/b25-8-
InChIKeyHBDJFTNJESRWGS-JAHAZDFLSA-N
XLogP4.30
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
CID 135269533
4-[[(3R,5S)-3,5-dimethyl-4-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367258
4-[[4-[[2-(furan-2-yl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269550
4-[[4-[[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 144920782
4-[[(3S,5R)-4-(2-chlorobenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367328
methyl 4-[[(3S,5R)-4-[(2-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367045
methyl 4-[[(3S)-4-[(2-iodophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 135269460
4-[[(3S,5R)-3,5-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367461
4-[[3,5-dimethyl-4-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269674
4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269492
4-[[3,5-dimethyl-4-[[2-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269730
N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide
CID 118367551

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide (CID 144920710) is N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide is CC/C=C(\OC)c1ccccc1CN1C(C)CN(Cc2ccc(C(=O)NO)cc2)CC1C.
What is the InChIKey of N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide?
The InChIKey is HBDJFTNJESRWGS-JAHAZDFLSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-5-8-25(32-4)24-10-7-6-9-23(24)18-29-19(2)15-28(16-20(29)3)17-21-11-13-22(14-12-21)26(30)27-31/h6-14,19-20,31H,5,15-18H2,1-4H3,(H,27,30)/b25-8-.
What are the key properties of N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide?
N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide has a molecular weight of 437.58 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[4-[[2-[(Z)-1-methoxybut-1-enyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 144920710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).