(2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide

C29H38N4O4 — CID 87348550

IUPAC(2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
SMILESCC1CC(O[C@H]2C[C@H](C(=O)NO)[C@@H](C(=O)N3CCC(c4ccccc4)CC3)N(C)C2)c2ccccc2N1
InChIInChI=1S/C29H38N4O4/c1-19-16-26(23-10-6-7-11-25(23)30-19)37-22-17-24(28(34)31-36)27(32(2)18-22)29(35)33-14-12-21(13-15-33)20-8-4-3-5-9-20/h3-11,19,21-22,24,26-27,30,36H,12-18H2,1-2H3,(H,31,34)/t19?,22-,24-,26?,27-/m0/s1
InChIKeyVGSKPDCCLVEEMK-HUFCFKPVSA-N
MW506.65 g/mol
LogP3.55
Rot. Bonds5

About (2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide

(2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 87348550) has the molecular formula C29H38N4O4 and a molecular weight of 506.65 g/mol. Its IUPAC name is (2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID87348550
Molecular FormulaC29H38N4O4
Molecular Weight506.65 g/mol
Exact Mass506.29
IUPAC Name(2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
SMILESCC1CC(O[C@H]2C[C@H](C(=O)NO)[C@@H](C(=O)N3CCC(c4ccccc4)CC3)N(C)C2)c2ccccc2N1
InChIInChI=1S/C29H38N4O4/c1-19-16-26(23-10-6-7-11-25(23)30-19)37-22-17-24(28(34)31-36)27(32(2)18-22)29(35)33-14-12-21(13-15-33)20-8-4-3-5-9-20/h3-11,19,21-22,24,26-27,30,36H,12-18H2,1-2H3,(H,31,34)/t19?,22-,24-,26?,27-/m0/s1
InChIKeyVGSKPDCCLVEEMK-HUFCFKPVSA-N
XLogP3.55
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 53.55
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'}

Analyze (2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide
CID 87348918
[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate
CID 87348398
[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate
CID 87348582
5-(3-fluorophenoxy)-N-hydroxy-1-methyl-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 87869880
(2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
CID 59117548
5-(3,4-difluorophenoxy)-N-hydroxy-1-methyl-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 87870555
[(6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperidine-1-carbonyl)piperidin-3-yl] pyrrolidine-1-carboxylate
CID 87869915
(2S,3S,5S)-N-hydroxy-1-methyl-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-5-pyridin-4-yloxypiperidine-3-carboxamide
CID 87348598
[(3S,5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] methyl carbonate
CID 11246300
[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]carbamic acid
CID 90884756
[(3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl] azepane-1-carboxylate
CID 87349142
(3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 63620366

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide (CID 87348550) is (2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide is CC1CC(O[C@H]2C[C@H](C(=O)NO)[C@@H](C(=O)N3CCC(c4ccccc4)CC3)N(C)C2)c2ccccc2N1.
What is the InChIKey of (2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is VGSKPDCCLVEEMK-HUFCFKPVSA-N. The full InChI is InChI=1S/C29H38N4O4/c1-19-16-26(23-10-6-7-11-25(23)30-19)37-22-17-24(28(34)31-36)27(32(2)18-22)29(35)33-14-12-21(13-15-33)20-8-4-3-5-9-20/h3-11,19,21-22,24,26-27,30,36H,12-18H2,1-2H3,(H,31,34)/t19?,22-,24-,26?,27-/m0/s1.
What are the key properties of (2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide?
(2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-N-hydroxy-1-methyl-5-[(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)oxy]-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 87348550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).