(3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide

C28H34N4O4 — CID 10390866

IUPAC(3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
SMILESCc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(C)(C)C)CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C28H34N4O4/c1-18-15-20(22-7-5-6-8-24(22)29-18)17-36-21-11-9-19(10-12-21)26(33)30-25-16-32(28(2,3)4)14-13-23(25)27(34)31-35/h5-12,15,23,25,35H,13-14,16-17H2,1-4H3,(H,30,33)(H,31,34)/t23-,25+/m0/s1
InChIKeyVMOZPKFTEJFSFL-UKILVPOCSA-N
MW490.60 g/mol
LogP3.85
Rot. Bonds6

About (3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide

(3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide (PubChem CID 10390866) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is (3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
PubChem CID10390866
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name(3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
SMILESCc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(C)(C)C)CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C28H34N4O4/c1-18-15-20(22-7-5-6-8-24(22)29-18)17-36-21-11-9-19(10-12-21)26(33)30-25-16-32(28(2,3)4)14-13-23(25)27(34)31-35/h5-12,15,23,25,35H,13-14,16-17H2,1-4H3,(H,30,33)(H,31,34)/t23-,25+/m0/s1
InChIKeyVMOZPKFTEJFSFL-UKILVPOCSA-N
XLogP3.85
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.85
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 (3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide?
The IUPAC name of (3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide (CID 10390866) is (3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide.
What is the SMILES notation for (3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide?
The canonical SMILES for (3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide is Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(C)(C)C)CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide?
The InChIKey is VMOZPKFTEJFSFL-UKILVPOCSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-18-15-20(22-7-5-6-8-24(22)29-18)17-36-21-11-9-19(10-12-21)26(33)30-25-16-32(28(2,3)4)14-13-23(25)27(34)31-35/h5-12,15,23,25,35H,13-14,16-17H2,1-4H3,(H,30,33)(H,31,34)/t23-,25+/m0/s1.
What are the key properties of (3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide?
(3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-tert-butyl-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide is sourced from PubChem (CID 10390866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).