N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide

C25H33N3O3 — CID 90046480

IUPACN-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCNCC1)c1ccc(CCCCc2ccc(CC(=O)NO)cc2)cc1
InChIInChI=1S/C25H33N3O3/c1-28(25(30)22-14-16-26-17-15-22)23-12-10-20(11-13-23)5-3-2-4-19-6-8-21(9-7-19)18-24(29)27-31/h6-13,22,26,31H,2-5,14-18H2,1H3,(H,27,29)
InChIKeyABFPFIUTIWCVLP-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.26
Rot. Bonds9

About N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide

N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide (PubChem CID 90046480) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide
PubChem CID90046480
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCNCC1)c1ccc(CCCCc2ccc(CC(=O)NO)cc2)cc1
InChIInChI=1S/C25H33N3O3/c1-28(25(30)22-14-16-26-17-15-22)23-12-10-20(11-13-23)5-3-2-4-19-6-8-21(9-7-19)18-24(29)27-31/h6-13,22,26,31H,2-5,14-18H2,1H3,(H,27,29)
InChIKeyABFPFIUTIWCVLP-UHFFFAOYSA-N
XLogP3.26
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 90046481
N-(4-hydroxyphenyl)-N-methylpiperidine-4-carboxamide
CID 107734326
N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide
CID 119343628
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid
CID 28759748
N-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 115159880
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 140562387
N-(3,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 62002271
N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 60939526
N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 86814370
N-(3,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119300459

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide (CID 90046480) is N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide is CN(C(=O)C1CCNCC1)c1ccc(CCCCc2ccc(CC(=O)NO)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is ABFPFIUTIWCVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-28(25(30)22-14-16-26-17-15-22)23-12-10-20(11-13-23)5-3-2-4-19-6-8-21(9-7-19)18-24(29)27-31/h6-13,22,26,31H,2-5,14-18H2,1H3,(H,27,29).
What are the key properties of N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide?
N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 90046480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).