6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C25H34N2O3 — CID 45211191

IUPAC6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)C1CC12CCN(C(=O)C1CCCO1)CC2
InChIInChI=1S/C25H34N2O3/c28-22(26-18-25(10-4-5-11-25)19-7-2-1-3-8-19)20-17-24(20)12-14-27(15-13-24)23(29)21-9-6-16-30-21/h1-3,7-8,20-21H,4-6,9-18H2,(H,26,28)
InChIKeyTZYMYWJAGYEUSW-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.42
Rot. Bonds5

About 6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45211191) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45211191
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)C1CC12CCN(C(=O)C1CCCO1)CC2
InChIInChI=1S/C25H34N2O3/c28-22(26-18-25(10-4-5-11-25)19-7-2-1-3-8-19)20-17-24(20)12-14-27(15-13-24)23(29)21-9-6-16-30-21/h1-3,7-8,20-21H,4-6,9-18H2,(H,26,28)
InChIKeyTZYMYWJAGYEUSW-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45211191) is 6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCC1(c2ccccc2)CCCC1)C1CC12CCN(C(=O)C1CCCO1)CC2.
What is the InChIKey of 6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is TZYMYWJAGYEUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c28-22(26-18-25(10-4-5-11-25)19-7-2-1-3-8-19)20-17-24(20)12-14-27(15-13-24)23(29)21-9-6-16-30-21/h1-3,7-8,20-21H,4-6,9-18H2,(H,26,28).
What are the key properties of 6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolane-2-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45211191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).