4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide

C28H33N5O5 — CID 10301584

IUPAC4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(=O)N(C)C)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C28H33N5O5/c1-19-16-21(23-6-4-5-7-24(23)29-19)18-38-22-10-8-20(9-11-22)26(35)30-28(17-25(34)31-37)12-14-33(15-13-28)27(36)32(2)3/h4-11,16,37H,12-15,17-18H2,1-3H3,(H,30,35)(H,31,34)
InChIKeyZTSCXJSYCOZWKZ-UHFFFAOYSA-N
MW519.60 g/mol
LogP3.26
Rot. Bonds7

About 4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide

4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide (PubChem CID 10301584) has the molecular formula C28H33N5O5 and a molecular weight of 519.60 g/mol. Its IUPAC name is 4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide
PubChem CID10301584
Molecular FormulaC28H33N5O5
Molecular Weight519.60 g/mol
Exact Mass519.25
IUPAC Name4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(=O)N(C)C)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C28H33N5O5/c1-19-16-21(23-6-4-5-7-24(23)29-19)18-38-22-10-8-20(9-11-22)26(35)30-28(17-25(34)31-37)12-14-33(15-13-28)27(36)32(2)3/h4-11,16,37H,12-15,17-18H2,1-3H3,(H,30,35)(H,31,34)
InChIKeyZTSCXJSYCOZWKZ-UHFFFAOYSA-N
XLogP3.26
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 53.26
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide (CID 10301584) is 4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(=O)N(C)C)CC3)cc2)c2ccccc2n1.
What is the InChIKey of 4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide?
The InChIKey is ZTSCXJSYCOZWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O5/c1-19-16-21(23-6-4-5-7-24(23)29-19)18-38-22-10-8-20(9-11-22)26(35)30-28(17-25(34)31-37)12-14-33(15-13-28)27(36)32(2)3/h4-11,16,37H,12-15,17-18H2,1-3H3,(H,30,35)(H,31,34).
What are the key properties of 4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide?
4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide has a molecular weight of 519.60 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxyamino)-2-oxoethyl]-N,N-dimethyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 10301584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).