N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C27H29N5O4 — CID 91355488

IUPACN-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC(c3[nH]c(=O)[nH]c3O)C3CCNCC3)cc2)c2ccccc2n1
InChIInChI=1S/C27H29N5O4/c1-16-14-19(21-4-2-3-5-22(21)29-16)15-36-20-8-6-18(7-9-20)25(33)30-23(17-10-12-28-13-11-17)24-26(34)32-27(35)31-24/h2-9,14,17,23,28,34H,10-13,15H2,1H3,(H,30,33)(H2,31,32,35)
InChIKeyHAZPIPCSIOFRAJ-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.31
Rot. Bonds7

About N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 91355488) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID91355488
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC NameN-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC(c3[nH]c(=O)[nH]c3O)C3CCNCC3)cc2)c2ccccc2n1
InChIInChI=1S/C27H29N5O4/c1-16-14-19(21-4-2-3-5-22(21)29-16)15-36-20-8-6-18(7-9-20)25(33)30-23(17-10-12-28-13-11-17)24-26(34)32-27(35)31-24/h2-9,14,17,23,28,34H,10-13,15H2,1H3,(H,30,33)(H2,31,32,35)
InChIKeyHAZPIPCSIOFRAJ-UHFFFAOYSA-N
XLogP3.31
TPSA132.13 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-(oxan-4-yl)methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 90727856
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide
CID 91218925
methyl 2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-2-(oxan-4-yl)acetate
CID 66912603
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide
CID 143650607
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877
N-[3-(hydroxyamino)-3-oxo-1-(1-propan-2-ylpiperidin-4-yl)propyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10185599
N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729941
N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729958
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379189

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 91355488) is N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC(c3[nH]c(=O)[nH]c3O)C3CCNCC3)cc2)c2ccccc2n1.
What is the InChIKey of N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is HAZPIPCSIOFRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-16-14-19(21-4-2-3-5-22(21)29-16)15-36-20-8-6-18(7-9-20)25(33)30-23(17-10-12-28-13-11-17)24-26(34)32-27(35)31-24/h2-9,14,17,23,28,34H,10-13,15H2,1H3,(H,30,33)(H2,31,32,35).
What are the key properties of N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 487.56 g/mol, XLogP of 3.31, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-piperidin-4-ylmethyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 91355488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).