(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C26H36N2O3 — CID 26346946

IUPAC(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CCN(C(=O)C1CCOCC1)CC2
InChIInChI=1S/C26H36N2O3/c29-23(27-19-26(10-4-5-11-26)21-6-2-1-3-7-21)22-18-25(22)12-14-28(15-13-25)24(30)20-8-16-31-17-9-20/h1-3,6-7,20,22H,4-5,8-19H2,(H,27,29)/t22-/m0/s1
InChIKeyHNLZGJPQOQVWQR-QFIPXVFZSA-N
MW424.59 g/mol
LogP3.67
Rot. Bonds5

About (2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 26346946) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is (2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID26346946
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CCN(C(=O)C1CCOCC1)CC2
InChIInChI=1S/C26H36N2O3/c29-23(27-19-26(10-4-5-11-26)21-6-2-1-3-7-21)22-18-25(22)12-14-28(15-13-25)24(30)20-8-16-31-17-9-20/h1-3,6-7,20,22H,4-5,8-19H2,(H,27,29)/t22-/m0/s1
InChIKeyHNLZGJPQOQVWQR-QFIPXVFZSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

(2S)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346949
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
N-[(1-phenylcyclopentyl)methyl]-6-(3-phenylprop-2-enoyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 74801916
(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452
(2R)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429739
(2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429738
(2R)-6-[(2-hydroxyphenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26276877
6-(6-oxopyran-3-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466690
N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466656
(2S)-6-(cyclohexanecarbonyl)-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42541635
(2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26324463
N-[(4-phenyloxan-4-yl)methyl]-6-(3-phenyl-1H-pyrazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45190452

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 26346946) is (2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CCN(C(=O)C1CCOCC1)CC2.
What is the InChIKey of (2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is HNLZGJPQOQVWQR-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H36N2O3/c29-23(27-19-26(10-4-5-11-26)21-6-2-1-3-7-21)22-18-25(22)12-14-28(15-13-25)24(30)20-8-16-31-17-9-20/h1-3,6-7,20,22H,4-5,8-19H2,(H,27,29)/t22-/m0/s1.
What are the key properties of (2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 26346946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).