N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C28H34N4O4 — CID 18379215

IUPACN-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCCN(C(C)C)C3)cc2)c2ccccc2n1
InChIInChI=1S/C28H34N4O4/c1-19(2)32-14-6-13-28(18-32,16-26(33)31-35)30-27(34)21-9-11-23(12-10-21)36-17-22-15-20(3)29-25-8-5-4-7-24(22)25/h4-5,7-12,15,19,35H,6,13-14,16-18H2,1-3H3,(H,30,34)(H,31,33)
InChIKeyNASVKEYXFYEAEN-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.99
Rot. Bonds8

About N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 18379215) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID18379215
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCCN(C(C)C)C3)cc2)c2ccccc2n1
InChIInChI=1S/C28H34N4O4/c1-19(2)32-14-6-13-28(18-32,16-26(33)31-35)30-27(34)21-9-11-23(12-10-21)36-17-22-15-20(3)29-25-8-5-4-7-24(22)25/h4-5,7-12,15,19,35H,6,13-14,16-18H2,1-3H3,(H,30,34)(H,31,33)
InChIKeyNASVKEYXFYEAEN-UHFFFAOYSA-N
XLogP3.99
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
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'}

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Related Compounds

N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379313
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379235
N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10322745
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 18379225
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-phenylacetyl)pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10257048
N-[3-[2-(hydroxyamino)-2-oxoethyl]thian-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10457222
N-[1-[2-(hydroxyamino)-2-oxoethyl]cycloheptyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18379321
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1,1-dioxothian-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10028828
N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-1-propan-2-ylpiperidin-3-yl]acetamide
CID 10186544
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,1-dioxothian-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10051573
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18379181
N-[3-[2-(hydroxyamino)-2-oxoethyl]-6-methoxyoxan-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379265

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 18379215) is N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCCN(C(C)C)C3)cc2)c2ccccc2n1.
What is the InChIKey of N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is NASVKEYXFYEAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-19(2)32-14-6-13-28(18-32,16-26(33)31-35)30-27(34)21-9-11-23(12-10-21)36-17-22-15-20(3)29-25-8-5-4-7-24(22)25/h4-5,7-12,15,19,35H,6,13-14,16-18H2,1-3H3,(H,30,34)(H,31,33).
What are the key properties of N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 490.60 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 18379215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).