(3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid

C25H26N4O6 — CID 87976885

IUPAC(3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid
SMILESCc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H26N4O6/c1-15-12-16(19-4-2-3-5-22(19)26-15)14-35-18-8-6-17(7-9-18)27-23(30)20-10-11-29(25(32)33)13-21(20)24(31)28-34/h2-9,12,20-21,34H,10-11,13-14H2,1H3,(H,27,30)(H,28,31)(H,32,33)/t20-,21-/m0/s1
InChIKeyUYNZWMHLQYGAJI-SFTDATJTSA-N
MW478.51 g/mol
LogP3.18
Rot. Bonds6

About (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid

(3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid (PubChem CID 87976885) has the molecular formula C25H26N4O6 and a molecular weight of 478.51 g/mol. Its IUPAC name is (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid
PubChem CID87976885
Molecular FormulaC25H26N4O6
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC Name(3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid
SMILESCc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H26N4O6/c1-15-12-16(19-4-2-3-5-22(19)26-15)14-35-18-8-6-17(7-9-18)27-23(30)20-10-11-29(25(32)33)13-21(20)24(31)28-34/h2-9,12,20-21,34H,10-11,13-14H2,1H3,(H,27,30)(H,28,31)(H,32,33)/t20-,21-/m0/s1
InChIKeyUYNZWMHLQYGAJI-SFTDATJTSA-N
XLogP3.18
TPSA141.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 53.18
H-Bond Donors ≤ 54
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

(3R,4S)-1-(4-cyanobenzoyl)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-3,4-dicarboxamide
CID 87976925
[(3S)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 22956920
(3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-thiophen-2-ylsulfonylpiperidine-3,4-dicarboxamide;2,2,2-trifluoroacetic acid
CID 87977080
(2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide
CID 87977443
(3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
CID 87907354
(2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 87978056
1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 22258660
(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 87907252
tert-butyl (3S,4R)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-1-carboxylate
CID 87907383
(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 87907290
(2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide
CID 10228608
(3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
CID 87586620

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid (CID 87976885) is (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid is Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is UYNZWMHLQYGAJI-SFTDATJTSA-N. The full InChI is InChI=1S/C25H26N4O6/c1-15-12-16(19-4-2-3-5-22(19)26-15)14-35-18-8-6-17(7-9-18)27-23(30)20-10-11-29(25(32)33)13-21(20)24(31)28-34/h2-9,12,20-21,34H,10-11,13-14H2,1H3,(H,27,30)(H,28,31)(H,32,33)/t20-,21-/m0/s1.
What are the key properties of (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid?
(3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 478.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 87976885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).