(2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide

C28H32N4O4 — CID 87977443

IUPAC(2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide
SMILESCc1cc(COc2ccc(NC(=O)[C@H]3[C@H](C(=O)NO)CCCN3CC3CC3)cc2)c2ccccc2n1
InChIInChI=1S/C28H32N4O4/c1-18-15-20(23-5-2-3-7-25(23)29-18)17-36-22-12-10-21(11-13-22)30-28(34)26-24(27(33)31-35)6-4-14-32(26)16-19-8-9-19/h2-3,5,7,10-13,15,19,24,26,35H,4,6,8-9,14,16-17H2,1H3,(H,30,34)(H,31,33)/t24-,26-/m1/s1
InChIKeyXORDSICOUVZNCB-AOYPEHQESA-N
MW488.59 g/mol
LogP4.06
Rot. Bonds8

About (2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide

(2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide (PubChem CID 87977443) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is (2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide.

Molecular Properties

Compound Name(2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide
PubChem CID87977443
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name(2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide
SMILESCc1cc(COc2ccc(NC(=O)[C@H]3[C@H](C(=O)NO)CCCN3CC3CC3)cc2)c2ccccc2n1
InChIInChI=1S/C28H32N4O4/c1-18-15-20(23-5-2-3-7-25(23)29-18)17-36-22-12-10-21(11-13-22)30-28(34)26-24(27(33)31-35)6-4-14-32(26)16-19-8-9-19/h2-3,5,7,10-13,15,19,24,26,35H,4,6,8-9,14,16-17H2,1H3,(H,30,34)(H,31,33)/t24-,26-/m1/s1
InChIKeyXORDSICOUVZNCB-AOYPEHQESA-N
XLogP4.06
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.06
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

(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
(3R,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylic acid
CID 87976885
(3R,4S)-1-(4-cyanobenzoyl)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-3,4-dicarboxamide
CID 87976925
N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729933
[(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
N-[2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylquinolin-4-yl)methoxy]naphthalene-2-carboxamide
CID 22258460
N-[(1S,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 87907442
N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide
CID 22616988
(2R,3S)-1-acetyl-N-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]pyrrolidine-3-carboxamide
CID 10228608
cis-(1R,2S)-N-hydroxy-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]cyclopentane-1-carboxamide
CID 87928243
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide?
The IUPAC name of (2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide (CID 87977443) is (2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide.
What is the SMILES notation for (2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide?
The canonical SMILES for (2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide is Cc1cc(COc2ccc(NC(=O)[C@H]3[C@H](C(=O)NO)CCCN3CC3CC3)cc2)c2ccccc2n1.
What is the InChIKey of (2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide?
The InChIKey is XORDSICOUVZNCB-AOYPEHQESA-N. The full InChI is InChI=1S/C28H32N4O4/c1-18-15-20(23-5-2-3-7-25(23)29-18)17-36-22-12-10-21(11-13-22)30-28(34)26-24(27(33)31-35)6-4-14-32(26)16-19-8-9-19/h2-3,5,7,10-13,15,19,24,26,35H,4,6,8-9,14,16-17H2,1H3,(H,30,34)(H,31,33)/t24-,26-/m1/s1.
What are the key properties of (2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide?
(2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide has a molecular weight of 488.59 g/mol, XLogP of 4.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide is sourced from PubChem (CID 87977443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).