(2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide

C24H30N4O5 — CID 87348189

IUPAC(2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
SMILESCOc1cccc(O[C@@H]2CN[C@H](C(=O)N3CCN(c4ccccc4)CC3)[C@@H](C(=O)NO)C2)c1
InChIInChI=1S/C24H30N4O5/c1-32-18-8-5-9-19(14-18)33-20-15-21(23(29)26-31)22(25-16-20)24(30)28-12-10-27(11-13-28)17-6-3-2-4-7-17/h2-9,14,20-22,25,31H,10-13,15-16H2,1H3,(H,26,29)/t20-,21-,22-/m0/s1
InChIKeySFPBZHXAUGMQGA-FKBYEOEOSA-N
MW454.53 g/mol
LogP1.27
Rot. Bonds6

About (2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide

(2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 87348189) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is (2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
PubChem CID87348189
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name(2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
SMILESCOc1cccc(O[C@@H]2CN[C@H](C(=O)N3CCN(c4ccccc4)CC3)[C@@H](C(=O)NO)C2)c1
InChIInChI=1S/C24H30N4O5/c1-32-18-8-5-9-19(14-18)33-20-15-21(23(29)26-31)22(25-16-20)24(30)28-12-10-27(11-13-28)17-6-3-2-4-7-17/h2-9,14,20-22,25,31H,10-13,15-16H2,1H3,(H,26,29)/t20-,21-,22-/m0/s1
InChIKeySFPBZHXAUGMQGA-FKBYEOEOSA-N
XLogP1.27
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 11198851
[[5-(2-methylphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carbonyl]amino] acetate
CID 174517265
5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 91507292
methyl (2S,3S,5S)-5-(3-chlorophenoxy)-3-(hydroxycarbamoyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 87348365
5-(3-fluorophenoxy)-N-hydroxy-1-methyl-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 87869880
(2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 141117001
5-(3,4-difluorophenoxy)-N-hydroxy-1-methyl-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 87870555
(1R,2R,5R)-N-hydroxy-5-[(6-methyl-3-pyridinyl)oxy]-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 87530021
trans-(1S,2S)-N-hydroxy-5-[(6-methyl-3-pyridinyl)oxy]-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 87530020
(1S,2S,5R)-N-hydroxy-5-[(6-methyl-3-pyridinyl)oxy]-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 87349374
[(1S,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate
CID 87348490
methyl 4-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]oxypiperidine-1-carboxylate
CID 87348641

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide (CID 87348189) is (2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide is COc1cccc(O[C@@H]2CN[C@H](C(=O)N3CCN(c4ccccc4)CC3)[C@@H](C(=O)NO)C2)c1.
What is the InChIKey of (2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is SFPBZHXAUGMQGA-FKBYEOEOSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-32-18-8-5-9-19(14-18)33-20-15-21(23(29)26-31)22(25-16-20)24(30)28-12-10-27(11-13-28)17-6-3-2-4-7-17/h2-9,14,20-22,25,31H,10-13,15-16H2,1H3,(H,26,29)/t20-,21-,22-/m0/s1.
What are the key properties of (2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
(2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 87348189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).