(2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide

C17H24N4O4 — CID 11198851

IUPAC(2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NO)[C@H]1C[C@@H](O)CN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N4O4/c22-13-10-14(16(23)19-25)15(18-11-13)17(24)21-8-6-20(7-9-21)12-4-2-1-3-5-12/h1-5,13-15,18,22,25H,6-11H2,(H,19,23)/t13-,14+,15+/m1/s1
InChIKeyUVBVYWNDSXDFTP-ILXRZTDVSA-N
MW348.40 g/mol
LogP-0.82
Rot. Bonds3

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

(2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 11198851) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
PubChem CID11198851
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NO)[C@H]1C[C@@H](O)CN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N4O4/c22-13-10-14(16(23)19-25)15(18-11-13)17(24)21-8-6-20(7-9-21)12-4-2-1-3-5-12/h1-5,13-15,18,22,25H,6-11H2,(H,19,23)/t13-,14+,15+/m1/s1
InChIKeyUVBVYWNDSXDFTP-ILXRZTDVSA-N
XLogP-0.82
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
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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Related Compounds

(2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 141117001
(2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 87348189
[[5-(2-methylphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carbonyl]amino] acetate
CID 174517265
(6S,7S)-N-hydroxy-6-(4-phenylpiperazine-1-carbonyl)spiro[2.5]octane-7-carboxamide
CID 44583623
(1S,2S,5R)-5-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 87348210
[(6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperidine-1-carbonyl)piperidin-3-yl]methylcarbamic acid
CID 87870438
[(1S,2S)-2-(hydroxycarbamoyl)cyclopropyl]-[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]carbamic acid
CID 91503111
[(4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] pyrrolidine-1-carboxylate
CID 87872042
[(1S,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate
CID 87348490
(2S,3S,5S)-N,5-dihydroxy-2-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carboxamide
CID 11406573
[(3S,5S,6S)-5-[2-(hydroxyamino)-2-oxoethyl]-6-(4-phenylpiperazine-1-carbonyl)piperidin-3-yl] piperidine-1-carboxylate
CID 87928528
(2S,3S,5S)-5-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-1,3-dicarboxylic acid
CID 68649380

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide (CID 11198851) is (2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide is O=C(NO)[C@H]1C[C@@H](O)CN[C@@H]1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is UVBVYWNDSXDFTP-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H24N4O4/c22-13-10-14(16(23)19-25)15(18-11-13)17(24)21-8-6-20(7-9-21)12-4-2-1-3-5-12/h1-5,13-15,18,22,25H,6-11H2,(H,19,23)/t13-,14+,15+/m1/s1.
What are the key properties of (2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide?
(2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of -0.82, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 11198851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).