(2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide

C20H29N3O5 — CID 10150649

IUPAC(2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide
SMILESCC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(OC)cc1
InChIInChI=1S/C20H29N3O5/c1-4-15(18(24)22-27)17(13-8-10-14(28-3)11-9-13)20(26)23-12-6-5-7-16(23)19(25)21-2/h8-11,15-17,27H,4-7,12H2,1-3H3,(H,21,25)(H,22,24)/t15-,16-,17+/m0/s1
InChIKeyZQORGANDVNQVJF-YESZJQIVSA-N
MW391.47 g/mol
LogP1.44
Rot. Bonds7

About (2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide

(2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 10150649) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide
PubChem CID10150649
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name(2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide
SMILESCC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(OC)cc1
InChIInChI=1S/C20H29N3O5/c1-4-15(18(24)22-27)17(13-8-10-14(28-3)11-9-13)20(26)23-12-6-5-7-16(23)19(25)21-2/h8-11,15-17,27H,4-7,12H2,1-3H3,(H,21,25)(H,22,24)/t15-,16-,17+/m0/s1
InChIKeyZQORGANDVNQVJF-YESZJQIVSA-N
XLogP1.44
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide (CID 10150649) is (2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide is CC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(OC)cc1.
What is the InChIKey of (2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is ZQORGANDVNQVJF-YESZJQIVSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-4-15(18(24)22-27)17(13-8-10-14(28-3)11-9-13)20(26)23-12-6-5-7-16(23)19(25)21-2/h8-11,15-17,27H,4-7,12H2,1-3H3,(H,21,25)(H,22,24)/t15-,16-,17+/m0/s1.
What are the key properties of (2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide?
(2S)-1-[(2S,3S)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 1.44, 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)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)pentanoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 10150649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).