2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide

C19H31N3O3 — CID 166262807

IUPAC2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide
SMILESO=C1CCC(NC(=O)N2CCC2C2CCCCC2)C(C2CCCO2)N1
InChIInChI=1S/C19H31N3O3/c23-17-9-8-14(18(21-17)16-7-4-12-25-16)20-19(24)22-11-10-15(22)13-5-2-1-3-6-13/h13-16,18H,1-12H2,(H,20,24)(H,21,23)
InChIKeyFLYDUGSEILMESR-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.18
Rot. Bonds3

About 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide

2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide (PubChem CID 166262807) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide
PubChem CID166262807
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide
SMILESO=C1CCC(NC(=O)N2CCC2C2CCCCC2)C(C2CCCO2)N1
InChIInChI=1S/C19H31N3O3/c23-17-9-8-14(18(21-17)16-7-4-12-25-16)20-19(24)22-11-10-15(22)13-5-2-1-3-6-13/h13-16,18H,1-12H2,(H,20,24)(H,21,23)
InChIKeyFLYDUGSEILMESR-UHFFFAOYSA-N
XLogP2.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide (CID 166262807) is 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide is O=C1CCC(NC(=O)N2CCC2C2CCCCC2)C(C2CCCO2)N1.
What is the InChIKey of 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide?
The InChIKey is FLYDUGSEILMESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c23-17-9-8-14(18(21-17)16-7-4-12-25-16)20-19(24)22-11-10-15(22)13-5-2-1-3-6-13/h13-16,18H,1-12H2,(H,20,24)(H,21,23).
What are the key properties of 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide?
2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[6-oxo-2-(oxolan-2-yl)piperidin-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 166262807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).