4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide

C26H36N4O4 — CID 135269511

IUPAC4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide
SMILESCC1CN(Cc2ccc(C(=O)NO)c(O)c2)CC(C)N1Cc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C26H36N4O4/c1-19-14-29(17-23-6-7-24(25(31)13-23)26(32)27-33)15-20(2)30(19)18-22-5-3-4-21(12-22)16-28-8-10-34-11-9-28/h3-7,12-13,19-20,31,33H,8-11,14-18H2,1-2H3,(H,27,32)
InChIKeyMCKYOUDQYYPWLN-UHFFFAOYSA-N
MW468.60 g/mol
LogP2.44
Rot. Bonds7

About 4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide

4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide (PubChem CID 135269511) has the molecular formula C26H36N4O4 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide.

Molecular Properties

Compound Name4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide
PubChem CID135269511
Molecular FormulaC26H36N4O4
Molecular Weight468.60 g/mol
Exact Mass468.27
IUPAC Name4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide
SMILESCC1CN(Cc2ccc(C(=O)NO)c(O)c2)CC(C)N1Cc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C26H36N4O4/c1-19-14-29(17-23-6-7-24(25(31)13-23)26(32)27-33)15-20(2)30(19)18-22-5-3-4-21(12-22)16-28-8-10-34-11-9-28/h3-7,12-13,19-20,31,33H,8-11,14-18H2,1-2H3,(H,27,32)
InChIKeyMCKYOUDQYYPWLN-UHFFFAOYSA-N
XLogP2.44
TPSA88.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide with MolForge

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Related Compounds

4-[[4-[[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 144920782
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-[[(3R,5S)-3,5-dimethyl-4-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367258
4-[[(3S,5R)-3,5-dimethyl-4-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367172
4-[[4-[[3-[[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269716
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
(E)-3-[4-[[(2S,6R)-2,6-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118367521
4-[[4-[[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269704
4-[[(3R,5S)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 135259892
4-[[(3R,5S)-3,5-dimethyl-4-[3-(morpholine-4-carbonyl)benzoyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 166937642
4-[[(3R,5S)-4-[(3-chlorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259846

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide?
The IUPAC name of 4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide (CID 135269511) is 4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide.
What is the SMILES notation for 4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide?
The canonical SMILES for 4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide is CC1CN(Cc2ccc(C(=O)NO)c(O)c2)CC(C)N1Cc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide?
The InChIKey is MCKYOUDQYYPWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4/c1-19-14-29(17-23-6-7-24(25(31)13-23)26(32)27-33)15-20(2)30(19)18-22-5-3-4-21(12-22)16-28-8-10-34-11-9-28/h3-7,12-13,19-20,31,33H,8-11,14-18H2,1-2H3,(H,27,32).
What are the key properties of 4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide?
4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide has a molecular weight of 468.60 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-dimethyl-4-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N,2-dihydroxybenzamide is sourced from PubChem (CID 135269511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).