N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide

C22H27N3O4 — CID 118367551

IUPACN-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N2[C@H](C)CN(Cc3ccc(C(=O)NO)cc3)C[C@@H]2C)cc1
InChIInChI=1S/C22H27N3O4/c1-15-12-24(14-17-4-6-18(7-5-17)21(26)23-28)13-16(2)25(15)22(27)19-8-10-20(29-3)11-9-19/h4-11,15-16,28H,12-14H2,1-3H3,(H,23,26)/t15-,16+
InChIKeySOSLLKFKYKYILO-IYBDPMFKSA-N
MW397.48 g/mol
LogP2.55
Rot. Bonds5

About N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide

N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide (PubChem CID 118367551) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide
PubChem CID118367551
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N2[C@H](C)CN(Cc3ccc(C(=O)NO)cc3)C[C@@H]2C)cc1
InChIInChI=1S/C22H27N3O4/c1-15-12-24(14-17-4-6-18(7-5-17)21(26)23-28)13-16(2)25(15)22(27)19-8-10-20(29-3)11-9-19/h4-11,15-16,28H,12-14H2,1-3H3,(H,23,26)/t15-,16+
InChIKeySOSLLKFKYKYILO-IYBDPMFKSA-N
XLogP2.55
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.55
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

2-hydroxy-1-[4-[[(3S,5R)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]ethanone
CID 160501122
4-[[4-[4-(furan-2-yl)benzoyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269495
4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269624
4-[[(3S,5R)-4-(2-chlorobenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367328
4-[[3,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269588
4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
CID 135269533
4-[[4-[3-(furan-2-yl)benzoyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269531
4-[[(3R,5S)-3,5-dimethyl-4-[3-(morpholine-4-carbonyl)benzoyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 166937642
4-[[(3R,5S)-3,5-dimethyl-4-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367285
4-[(4-methoxycarbonylphenyl)methyl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 151012323
methyl 4-[[(3R,5S)-3,5-dimethyl-4-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]methyl]benzoate
CID 118367348
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide (CID 118367551) is N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide is COc1ccc(C(=O)N2[C@H](C)CN(Cc3ccc(C(=O)NO)cc3)C[C@@H]2C)cc1.
What is the InChIKey of N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide?
The InChIKey is SOSLLKFKYKYILO-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15-12-24(14-17-4-6-18(7-5-17)21(26)23-28)13-16(2)25(15)22(27)19-8-10-20(29-3)11-9-19/h4-11,15-16,28H,12-14H2,1-3H3,(H,23,26)/t15-,16+.
What are the key properties of N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide?
N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 118367551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).