N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide

C13H22N4O3 — CID 79523291

IUPACN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CONC1=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C13H22N4O3/c18-12-10(8-20-16-12)15-13(19)11-2-1-7-17(11)9-3-5-14-6-4-9/h9-11,14H,1-8H2,(H,15,19)(H,16,18)/t10-,11?/m1/s1
InChIKeySIJSYIOARREMQK-NFJWQWPMSA-N
MW282.34 g/mol
LogP-1.25
Rot. Bonds3

About N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide

N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 79523291) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID79523291
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CONC1=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C13H22N4O3/c18-12-10(8-20-16-12)15-13(19)11-2-1-7-17(11)9-3-5-14-6-4-9/h9-11,14H,1-8H2,(H,15,19)(H,16,18)/t10-,11?/m1/s1
InChIKeySIJSYIOARREMQK-NFJWQWPMSA-N
XLogP-1.25
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide (CID 79523291) is N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide is O=C(N[C@@H]1CONC1=O)C1CCCN1C1CCNCC1.
What is the InChIKey of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is SIJSYIOARREMQK-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H22N4O3/c18-12-10(8-20-16-12)15-13(19)11-2-1-7-17(11)9-3-5-14-6-4-9/h9-11,14H,1-8H2,(H,15,19)(H,16,18)/t10-,11?/m1/s1.
What are the key properties of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide?
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 79523291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).