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

C27H32N4O4 — CID 18379440

IUPACN-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C)CC3C)cc2)c2ccccc2n1
InChIInChI=1S/C27H32N4O4/c1-18-16-31(3)13-12-27(18,15-25(32)30-34)29-26(33)20-8-10-22(11-9-20)35-17-21-14-19(2)28-24-7-5-4-6-23(21)24/h4-11,14,18,34H,12-13,15-17H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyLLSIXEJJVQOGCC-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.46
Rot. Bonds7

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

N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 18379440) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID18379440
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C)CC3C)cc2)c2ccccc2n1
InChIInChI=1S/C27H32N4O4/c1-18-16-31(3)13-12-27(18,15-25(32)30-34)29-26(33)20-8-10-22(11-9-20)35-17-21-14-19(2)28-24-7-5-4-6-23(21)24/h4-11,14,18,34H,12-13,15-17H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyLLSIXEJJVQOGCC-UHFFFAOYSA-N
XLogP3.46
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.46
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-[4-[2-(hydroxyamino)-2-oxoethyl]-1,1-dioxothian-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10051573
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]-5-methylpyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10388969
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]-1,1-dioxothian-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10028828
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379215
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-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379313
N-[3-[2-(hydroxyamino)-2-oxoethyl]-6-methoxyoxan-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379265
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 18379440) is N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C)CC3C)cc2)c2ccccc2n1.
What is the InChIKey of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is LLSIXEJJVQOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-18-16-31(3)13-12-27(18,15-25(32)30-34)29-26(33)20-8-10-22(11-9-20)35-17-21-14-19(2)28-24-7-5-4-6-23(21)24/h4-11,14,18,34H,12-13,15-17H2,1-3H3,(H,29,33)(H,30,32).
What are the key properties of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 476.58 g/mol, XLogP of 3.46, 7 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]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 18379440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).