N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

C34H48F2N6O7 — CID 157468431

IUPACN-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCOc1cccc(F)c1NC(=O)N1CCC(CCCC(=O)NO)CC1.Cc1ccc(F)c(NC(=O)N2CCC(CCCC(=O)NO)CC2)c1
InChIInChI=1S/C17H24FN3O4.C17H24FN3O3/c1-25-14-6-3-5-13(18)16(14)19-17(23)21-10-8-12(9-11-21)4-2-7-15(22)20-24;1-12-5-6-14(18)15(11-12)19-17(23)21-9-7-13(8-10-21)3-2-4-16(22)20-24/h3,5-6,12,24H,2,4,7-11H2,1H3,(H,19,23)(H,20,22);5-6,11,13,24H,2-4,7-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyBUSXUANXPBPUEY-UHFFFAOYSA-N
MW690.79 g/mol
LogP5.81
Rot. Bonds11

About N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (PubChem CID 157468431) has the molecular formula C34H48F2N6O7 and a molecular weight of 690.79 g/mol. Its IUPAC name is N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
PubChem CID157468431
Molecular FormulaC34H48F2N6O7
Molecular Weight690.79 g/mol
Exact Mass690.36
IUPAC NameN-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCOc1cccc(F)c1NC(=O)N1CCC(CCCC(=O)NO)CC1.Cc1ccc(F)c(NC(=O)N2CCC(CCCC(=O)NO)CC2)c1
InChIInChI=1S/C17H24FN3O4.C17H24FN3O3/c1-25-14-6-3-5-13(18)16(14)19-17(23)21-10-8-12(9-11-21)4-2-7-15(22)20-24;1-12-5-6-14(18)15(11-12)19-17(23)21-9-7-13(8-10-21)3-2-4-16(22)20-24/h3,5-6,12,24H,2,4,7-11H2,1H3,(H,19,23)(H,20,22);5-6,11,13,24H,2-4,7-10H2,1H3,(H,19,23)(H,20,22)
InChIKeyBUSXUANXPBPUEY-UHFFFAOYSA-N
XLogP5.81
TPSA172.57 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500690.79
LogP ≤ 55.81
H-Bond Donors ≤ 56
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'}

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Related Compounds

4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 11849005
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
CID 91913300
N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379
N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91356315
4-[2-(2-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113108977
N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903624
N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903601
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-(2-fluoro-6-methoxyphenyl)piperidine-1-carboxamide
CID 99830558
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (CID 157468431) is N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is COc1cccc(F)c1NC(=O)N1CCC(CCCC(=O)NO)CC1.Cc1ccc(F)c(NC(=O)N2CCC(CCCC(=O)NO)CC2)c1.
What is the InChIKey of N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The InChIKey is BUSXUANXPBPUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4.C17H24FN3O3/c1-25-14-6-3-5-13(18)16(14)19-17(23)21-10-8-12(9-11-21)4-2-7-15(22)20-24;1-12-5-6-14(18)15(11-12)19-17(23)21-9-7-13(8-10-21)3-2-4-16(22)20-24/h3,5-6,12,24H,2,4,7-11H2,1H3,(H,19,23)(H,20,22);5-6,11,13,24H,2-4,7-10H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide has a molecular weight of 690.79 g/mol, XLogP of 5.81, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methoxyphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide;N-(2-fluoro-5-methylphenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is sourced from PubChem (CID 157468431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).