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

C27H32N4O4 — CID 10140438

IUPACN-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCCN1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1
InChIInChI=1S/C27H32N4O4/c1-3-31-14-12-27(13-15-31,17-25(32)30-34)29-26(33)20-8-10-22(11-9-20)35-18-21-16-19(2)28-24-7-5-4-6-23(21)24/h4-11,16,34H,3,12-15,17-18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyRBUVXLALMRWKQA-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.60
Rot. Bonds8

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

N-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 10140438) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID10140438
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCCN1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1
InChIInChI=1S/C27H32N4O4/c1-3-31-14-12-27(13-15-31,17-25(32)30-34)29-26(33)20-8-10-22(11-9-20)35-18-21-16-19(2)28-24-7-5-4-6-23(21)24/h4-11,16,34H,3,12-15,17-18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyRBUVXLALMRWKQA-UHFFFAOYSA-N
XLogP3.60
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.60
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 N-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 10140438) is N-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is CCN1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1.
What is the InChIKey of N-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is RBUVXLALMRWKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-3-31-14-12-27(13-15-31,17-25(32)30-34)29-26(33)20-8-10-22(11-9-20)35-18-21-16-19(2)28-24-7-5-4-6-23(21)24/h4-11,16,34H,3,12-15,17-18H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 476.58 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 10140438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).