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

C19H26ClN3O4 — CID 11603611

IUPAC(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide
SMILESCC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClN3O4/c1-3-14(17(24)22-27)16(12-7-9-13(20)10-8-12)19(26)23-11-5-4-6-15(23)18(25)21-2/h7-10,14-16,27H,3-6,11H2,1-2H3,(H,21,25)(H,22,24)/t14-,15-,16+/m0/s1
InChIKeyNRCQPJPKKZDRND-HRCADAONSA-N
MW395.89 g/mol
LogP2.08
Rot. Bonds6

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

(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide (PubChem CID 11603611) has the molecular formula C19H26ClN3O4 and a molecular weight of 395.89 g/mol. Its IUPAC name is (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide
PubChem CID11603611
Molecular FormulaC19H26ClN3O4
Molecular Weight395.89 g/mol
Exact Mass395.16
IUPAC Name(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide
SMILESCC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClN3O4/c1-3-14(17(24)22-27)16(12-7-9-13(20)10-8-12)19(26)23-11-5-4-6-15(23)18(25)21-2/h7-10,14-16,27H,3-6,11H2,1-2H3,(H,21,25)(H,22,24)/t14-,15-,16+/m0/s1
InChIKeyNRCQPJPKKZDRND-HRCADAONSA-N
XLogP2.08
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide (CID 11603611) is (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide is CC[C@H](C(=O)NO)[C@H](C(=O)N1CCCC[C@H]1C(=O)NC)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is NRCQPJPKKZDRND-HRCADAONSA-N. The full InChI is InChI=1S/C19H26ClN3O4/c1-3-14(17(24)22-27)16(12-7-9-13(20)10-8-12)19(26)23-11-5-4-6-15(23)18(25)21-2/h7-10,14-16,27H,3-6,11H2,1-2H3,(H,21,25)(H,22,24)/t14-,15-,16+/m0/s1.
What are the key properties of (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide?
(2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 11603611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).