(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

C25H31N3O3 — CID 42272774

IUPAC(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)CCOc1ccccc1)CC2
InChIInChI=1S/C25H31N3O3/c29-23(10-18-31-21-6-2-1-3-7-21)28-16-11-25(12-17-28)19-22(25)24(30)27-13-4-5-20-8-14-26-15-9-20/h1-3,6-9,14-15,22H,4-5,10-13,16-19H2,(H,27,30)/t22-/m0/s1
InChIKeyXHMFDFKXHWOKQT-QFIPXVFZSA-N
MW421.54 g/mol
LogP3.23
Rot. Bonds9

About (2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42272774) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is (2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42272774
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)CCOc1ccccc1)CC2
InChIInChI=1S/C25H31N3O3/c29-23(10-18-31-21-6-2-1-3-7-21)28-16-11-25(12-17-28)19-22(25)24(30)27-13-4-5-20-8-14-26-15-9-20/h1-3,6-9,14-15,22H,4-5,10-13,16-19H2,(H,27,30)/t22-/m0/s1
InChIKeyXHMFDFKXHWOKQT-QFIPXVFZSA-N
XLogP3.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45214381
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
6-(3-prop-2-enoxybenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45182350
6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463337
(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42480930
(2S)-N-(3-pyridin-4-ylpropyl)-6-[(E)-3-thiophen-2-ylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429855
N-(3-pyridin-4-ylpropyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465408
(2R)-6-[4-(4-fluorophenyl)benzoyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26282918
(2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42166274
3-phenoxy-1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
CID 45193412
ethyl 4-[[(2R)-6-(3-phenoxypropanoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 42539034
6-[[4-(2-methylphenyl)phenyl]methyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45199739

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 42272774) is (2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)CCOc1ccccc1)CC2.
What is the InChIKey of (2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is XHMFDFKXHWOKQT-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H31N3O3/c29-23(10-18-31-21-6-2-1-3-7-21)28-16-11-25(12-17-28)19-22(25)24(30)27-13-4-5-20-8-14-26-15-9-20/h1-3,6-9,14-15,22H,4-5,10-13,16-19H2,(H,27,30)/t22-/m0/s1.
What are the key properties of (2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42272774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).