[(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate

C24H28ClN3O5 — CID 87502378

IUPAC[(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate
SMILESCC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@@H]1OC(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O5/c1-2-19(22(29)27-32)21(16-11-13-17(25)14-12-16)23(30)28-15-7-6-10-20(28)33-24(31)26-18-8-4-3-5-9-18/h3-5,8-9,11-14,19-21,32H,2,6-7,10,15H2,1H3,(H,26,31)(H,27,29)/t19-,20-,21+/m0/s1
InChIKeySJWGWYYETHNOHO-PCCBWWKXSA-N
MW473.96 g/mol
LogP4.54
Rot. Bonds7

About [(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate

[(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate (PubChem CID 87502378) has the molecular formula C24H28ClN3O5 and a molecular weight of 473.96 g/mol. Its IUPAC name is [(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate
PubChem CID87502378
Molecular FormulaC24H28ClN3O5
Molecular Weight473.96 g/mol
Exact Mass473.17
IUPAC Name[(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate
SMILESCC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@@H]1OC(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O5/c1-2-19(22(29)27-32)21(16-11-13-17(25)14-12-16)23(30)28-15-7-6-10-20(28)33-24(31)26-18-8-4-3-5-9-18/h3-5,8-9,11-14,19-21,32H,2,6-7,10,15H2,1H3,(H,26,31)(H,27,29)/t19-,20-,21+/m0/s1
InChIKeySJWGWYYETHNOHO-PCCBWWKXSA-N
XLogP4.54
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(2S)-1-[(3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 142815758
[(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperazin-2-yl] N-(2-methylpropyl)carbamate
CID 87503051
(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-(2-methylpropyl)piperazine-2-carboxamide
CID 10289686
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
[(2R)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidin-2-yl] N-(4-chlorophenyl)carbamate
CID 67481818
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
(1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate
CID 70948152
(2S)-2-N-[2-(4-chlorophenoxy)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 28946991
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518
[2-(aminomethyl)cyclohexyl] N-(4-chlorophenyl)carbamate
CID 79337964
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate?
The IUPAC name of [(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate (CID 87502378) is [(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate.
What is the SMILES notation for [(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate?
The canonical SMILES for [(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate is CC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@@H]1OC(=O)Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate?
The InChIKey is SJWGWYYETHNOHO-PCCBWWKXSA-N. The full InChI is InChI=1S/C24H28ClN3O5/c1-2-19(22(29)27-32)21(16-11-13-17(25)14-12-16)23(30)28-15-7-6-10-20(28)33-24(31)26-18-8-4-3-5-9-18/h3-5,8-9,11-14,19-21,32H,2,6-7,10,15H2,1H3,(H,26,31)(H,27,29)/t19-,20-,21+/m0/s1.
What are the key properties of [(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate?
[(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate has a molecular weight of 473.96 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]piperidin-2-yl] N-phenylcarbamate is sourced from PubChem (CID 87502378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).