propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate

C23H32N4O5 — CID 45487357

IUPACpropan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate
SMILESCC(C)OC(=O)N(C)C1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C23H32N4O5/c1-15(2)32-23(30)26(3)18-13-19(21(28)25-31)20(24-14-18)22(29)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/m0/s1
InChIKeyVLUAXQQDRZDFOF-YPJRHXLCSA-N
MW444.53 g/mol
LogP1.63
Rot. Bonds5

About propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate

propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate (PubChem CID 45487357) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate
PubChem CID45487357
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Namepropan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate
SMILESCC(C)OC(=O)N(C)C1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C23H32N4O5/c1-15(2)32-23(30)26(3)18-13-19(21(28)25-31)20(24-14-18)22(29)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/m0/s1
InChIKeyVLUAXQQDRZDFOF-YPJRHXLCSA-N
XLogP1.63
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 51.63
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 propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Incb-3619
CID 11625778
(2R)-N-[(2S)-3-cyclohexyl-1-[[3-(4-morpholin-4-ylbutylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]-N'-hydroxy-2-[3-(4-methylphenyl)propyl]butanediamide
CID 44314932
(2R)-N-[(2S)-3-cyclohexyl-1-[[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]-N'-hydroxy-2-[3-(4-methylphenyl)propyl]butanediamide
CID 44314975
(2S,3S,5RS)-5-(2-(5-aminopentylamino)-2-oxoethyl)-N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 11363138
(6S,7S)-N-hydroxy-6-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 16108939
(6S,7S)-N-hydroxy-6-[(5-methyl-4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 16108948
(6S,7S)-7-hydroxycarbamoyl-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl)-5-aza-spiro[2.5]octane-5-carboxylic acid methyl ester
CID 24936215
(2R)-N-[(2S)-1-(4-benzylpiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 44324836
(6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-spiro[2.5]octane-5-carboxylic acid methyl ester
CID 44446835
(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)piperidin-3-yl pyrrolidine-1-carboxylate
CID 45487333
(2S,3S)-N-hydroxy-5-(N-methylisobutyramido)-2-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)piperidine-3-carboxamide
CID 45487342
(2S,3S)-N-hydroxy-5-(N-methylisobutyramido)-2-((R)-3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 45487399

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate?
The IUPAC name of propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate (CID 45487357) is propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate?
The canonical SMILES for propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate is CC(C)OC(=O)N(C)C1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)NO)C1.
What is the InChIKey of propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate?
The InChIKey is VLUAXQQDRZDFOF-YPJRHXLCSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-15(2)32-23(30)26(3)18-13-19(21(28)25-31)20(24-14-18)22(29)27-11-9-17(10-12-27)16-7-5-4-6-8-16/h4-9,15,18-20,24,31H,10-14H2,1-3H3,(H,25,28)/t18?,19-,20-/m0/s1.
What are the key properties of propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate?
propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate has a molecular weight of 444.53 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 45487357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).