N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide

C28H44N4O8 — CID 143426513

IUPACN-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
SMILESCCCCC(C)C[C@H](CN(O)C=O)C(=O)NCC(=O)N1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C28H44N4O8/c1-6-7-8-19(2)13-21(17-32(37)18-33)27(35)29-16-25(34)31-11-9-22(10-12-31)30-28(36)20-14-23(38-3)26(40-5)24(15-20)39-4/h14-15,18-19,21-22,37H,6-13,16-17H2,1-5H3,(H,29,35)(H,30,36)/t19?,21-/m1/s1
InChIKeyMJHDBTIFVFRIDL-VGAJERRHSA-N
MW564.68 g/mol
LogP2.23
Rot. Bonds16

About N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide

N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide (PubChem CID 143426513) has the molecular formula C28H44N4O8 and a molecular weight of 564.68 g/mol. Its IUPAC name is N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
PubChem CID143426513
Molecular FormulaC28H44N4O8
Molecular Weight564.68 g/mol
Exact Mass564.32
IUPAC NameN-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
SMILESCCCCC(C)C[C@H](CN(O)C=O)C(=O)NCC(=O)N1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C28H44N4O8/c1-6-7-8-19(2)13-21(17-32(37)18-33)27(35)29-16-25(34)31-11-9-22(10-12-31)30-28(36)20-14-23(38-3)26(40-5)24(15-20)39-4/h14-15,18-19,21-22,37H,6-13,16-17H2,1-5H3,(H,29,35)(H,30,36)/t19?,21-/m1/s1
InChIKeyMJHDBTIFVFRIDL-VGAJERRHSA-N
XLogP2.23
TPSA146.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.68
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
2-[[formyl(hydroxy)amino]methyl]-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]hexanamide;2-methylpropane
CID 142043190
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate
CID 47076923
N-[1-[2-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide
CID 72567609
3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549305
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51161949
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide (CID 143426513) is N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide is CCCCC(C)C[C@H](CN(O)C=O)C(=O)NCC(=O)N1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is MJHDBTIFVFRIDL-VGAJERRHSA-N. The full InChI is InChI=1S/C28H44N4O8/c1-6-7-8-19(2)13-21(17-32(37)18-33)27(35)29-16-25(34)31-11-9-22(10-12-31)30-28(36)20-14-23(38-3)26(40-5)24(15-20)39-4/h14-15,18-19,21-22,37H,6-13,16-17H2,1-5H3,(H,29,35)(H,30,36)/t19?,21-/m1/s1.
What are the key properties of N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide?
N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 564.68 g/mol, XLogP of 2.23, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 143426513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).