N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

C17H25N3O3 — CID 52918060

IUPACN-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESO=C(CCCC1CCN(C(=O)NCc2ccccc2)CC1)NO
InChIInChI=1S/C17H25N3O3/c21-16(19-23)8-4-7-14-9-11-20(12-10-14)17(22)18-13-15-5-2-1-3-6-15/h1-3,5-6,14,23H,4,7-13H2,(H,18,22)(H,19,21)
InChIKeyYHGLEBNSCHQGHL-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.28
Rot. Bonds6

About N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (PubChem CID 52918060) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
PubChem CID52918060
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESO=C(CCCC1CCN(C(=O)NCc2ccccc2)CC1)NO
InChIInChI=1S/C17H25N3O3/c21-16(19-23)8-4-7-14-9-11-20(12-10-14)17(22)18-13-15-5-2-1-3-6-15/h1-3,5-6,14,23H,4,7-13H2,(H,18,22)(H,19,21)
InChIKeyYHGLEBNSCHQGHL-UHFFFAOYSA-N
XLogP2.28
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (CID 52918060) is N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is O=C(CCCC1CCN(C(=O)NCc2ccccc2)CC1)NO.
What is the InChIKey of N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The InChIKey is YHGLEBNSCHQGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16(19-23)8-4-7-14-9-11-20(12-10-14)17(22)18-13-15-5-2-1-3-6-15/h1-3,5-6,14,23H,4,7-13H2,(H,18,22)(H,19,21).
What are the key properties of N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is sourced from PubChem (CID 52918060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).