4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide

C18H27N3O4 — CID 11849005

IUPAC4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCC(CCCC(=O)NO)CC1
InChIInChI=1S/C18H27N3O4/c1-25-16-7-3-2-6-15(16)13-19-18(23)21-11-9-14(10-12-21)5-4-8-17(22)20-24/h2-3,6-7,14,24H,4-5,8-13H2,1H3,(H,19,23)(H,20,22)
InChIKeyWIXGPJAJRMCDKL-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.29
Rot. Bonds7

About 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide

4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 11849005) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID11849005
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCC(CCCC(=O)NO)CC1
InChIInChI=1S/C18H27N3O4/c1-25-16-7-3-2-6-15(16)13-19-18(23)21-11-9-14(10-12-21)5-4-8-17(22)20-24/h2-3,6-7,14,24H,4-5,8-13H2,1H3,(H,19,23)(H,20,22)
InChIKeyWIXGPJAJRMCDKL-UHFFFAOYSA-N
XLogP2.29
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11849011
6-[(2-methoxyphenyl)methylamino]-1-[4-[3-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]propyl]piperidin-1-yl]hexan-1-one
CID 11296868
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 87748960
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
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
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide
CID 111508966
tert-butyl 4-[[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111215963
N-cyclopropyl-3-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 24790876
cyclopentyl 4-[4-(2-methoxyanilino)-4-oxobutyl]piperidine-1-carboxylate
CID 24885233

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 11849005) is 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccccc1CNC(=O)N1CCC(CCCC(=O)NO)CC1.
What is the InChIKey of 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is WIXGPJAJRMCDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-25-16-7-3-2-6-15(16)13-19-18(23)21-11-9-14(10-12-21)5-4-8-17(22)20-24/h2-3,6-7,14,24H,4-5,8-13H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide?
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 11849005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).