[(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate

C19H26N4O5 — CID 11211467

IUPAC[(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate
SMILESCNC(=O)OC1CN[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C19H26N4O5/c1-20-19(26)28-14-9-15(17(24)22-27)16(21-10-14)18(25)23-8-7-13(11-23)12-5-3-2-4-6-12/h2-6,13-16,21,27H,7-11H2,1H3,(H,20,26)(H,22,24)/t13-,14?,15-,16-/m0/s1
InChIKeyFLCCYOWTSFKYAW-PBBYBOOSSA-N
MW390.44 g/mol
LogP0.21
Rot. Bonds4

About [(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate

[(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate (PubChem CID 11211467) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is [(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate
PubChem CID11211467
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name[(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate
SMILESCNC(=O)OC1CN[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1
InChIInChI=1S/C19H26N4O5/c1-20-19(26)28-14-9-15(17(24)22-27)16(21-10-14)18(25)23-8-7-13(11-23)12-5-3-2-4-6-12/h2-6,13-16,21,27H,7-11H2,1H3,(H,20,26)(H,22,24)/t13-,14?,15-,16-/m0/s1
InChIKeyFLCCYOWTSFKYAW-PBBYBOOSSA-N
XLogP0.21
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 50.21
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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Frequently Asked Questions

What is the IUPAC name of [(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate?
The IUPAC name of [(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate (CID 11211467) is [(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate.
What is the SMILES notation for [(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate?
The canonical SMILES for [(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate is CNC(=O)OC1CN[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)NO)C1.
What is the InChIKey of [(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate?
The InChIKey is FLCCYOWTSFKYAW-PBBYBOOSSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-20-19(26)28-14-9-15(17(24)22-27)16(21-10-14)18(25)23-8-7-13(11-23)12-5-3-2-4-6-12/h2-6,13-16,21,27H,7-11H2,1H3,(H,20,26)(H,22,24)/t13-,14?,15-,16-/m0/s1.
What are the key properties of [(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate?
[(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate has a molecular weight of 390.44 g/mol, XLogP of 0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,6S)-5-(hydroxycarbamoyl)-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidin-3-yl] N-methylcarbamate is sourced from PubChem (CID 11211467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).