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

C12H21N3O3 — CID 81044696

IUPACN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N[C@@H]1CONC1=O)C1CCCNC1
InChIInChI=1S/C12H21N3O3/c1-8(9-3-2-4-13-6-9)5-11(16)14-10-7-18-15-12(10)17/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17)/t8?,9?,10-/m1/s1
InChIKeyMFVPVHUQOOFALA-UDNWOFFPSA-N
MW255.32 g/mol
LogP-0.44
Rot. Bonds4

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

N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide (PubChem CID 81044696) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide
PubChem CID81044696
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N[C@@H]1CONC1=O)C1CCCNC1
InChIInChI=1S/C12H21N3O3/c1-8(9-3-2-4-13-6-9)5-11(16)14-10-7-18-15-12(10)17/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17)/t8?,9?,10-/m1/s1
InChIKeyMFVPVHUQOOFALA-UDNWOFFPSA-N
XLogP-0.44
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide (CID 81044696) is N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide is CC(CC(=O)N[C@@H]1CONC1=O)C1CCCNC1.
What is the InChIKey of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide?
The InChIKey is MFVPVHUQOOFALA-UDNWOFFPSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(9-3-2-4-13-6-9)5-11(16)14-10-7-18-15-12(10)17/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17)/t8?,9?,10-/m1/s1.
What are the key properties of N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide?
N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide has a molecular weight of 255.32 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81044696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).