N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C28H34N4O4 — CID 10300077

IUPACN-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCCCN1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1
InChIInChI=1S/C28H34N4O4/c1-3-14-32-15-12-28(13-16-32,18-26(33)31-35)30-27(34)21-8-10-23(11-9-21)36-19-22-17-20(2)29-25-7-5-4-6-24(22)25/h4-11,17,35H,3,12-16,18-19H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyADROOOBIKREWPX-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.99
Rot. Bonds9

About N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 10300077) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID10300077
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCCCN1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1
InChIInChI=1S/C28H34N4O4/c1-3-14-32-15-12-28(13-16-32,18-26(33)31-35)30-27(34)21-8-10-23(11-9-21)36-19-22-17-20(2)29-25-7-5-4-6-24(22)25/h4-11,17,35H,3,12-16,18-19H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyADROOOBIKREWPX-UHFFFAOYSA-N
XLogP3.99
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 10300077) is N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is CCCN1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is ADROOOBIKREWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-3-14-32-15-12-28(13-16-32,18-26(33)31-35)30-27(34)21-8-10-23(11-9-21)36-19-22-17-20(2)29-25-7-5-4-6-24(22)25/h4-11,17,35H,3,12-16,18-19H2,1-2H3,(H,30,34)(H,31,33).
What are the key properties of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 490.60 g/mol, XLogP of 3.99, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-propylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 10300077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).