N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide

C16H26N2O2 — CID 110204004

IUPACN-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)NC1CCCC1
InChIInChI=1S/C16H26N2O2/c1-11(2)18-13(14(19)17-12-7-3-4-8-12)16(15(18)20)9-5-6-10-16/h11-13H,3-10H2,1-2H3,(H,17,19)
InChIKeyCMFIFIUQBHPFEM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds3

About N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide

N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide (PubChem CID 110204004) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
PubChem CID110204004
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)NC1CCCC1
InChIInChI=1S/C16H26N2O2/c1-11(2)18-13(14(19)17-12-7-3-4-8-12)16(15(18)20)9-5-6-10-16/h11-13H,3-10H2,1-2H3,(H,17,19)
InChIKeyCMFIFIUQBHPFEM-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide (CID 110204004) is N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide is CC(C)N1C(=O)C2(CCCC2)C1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The InChIKey is CMFIFIUQBHPFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)18-13(14(19)17-12-7-3-4-8-12)16(15(18)20)9-5-6-10-16/h11-13H,3-10H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide is sourced from PubChem (CID 110204004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).