N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

C27H30N4O2 — CID 45176540

IUPACN-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C1CC12CCN(C(=O)c1cn[nH]c1)CC2
InChIInChI=1S/C27H30N4O2/c32-25(24-17-27(24)12-15-31(16-13-27)26(33)22-18-29-30-19-22)28-14-11-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,18-19,23-24H,11-17H2,(H,28,32)(H,29,30)
InChIKeyFDWHKKNVCBKWMJ-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.99
Rot. Bonds7

About N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45176540) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45176540
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C1CC12CCN(C(=O)c1cn[nH]c1)CC2
InChIInChI=1S/C27H30N4O2/c32-25(24-17-27(24)12-15-31(16-13-27)26(33)22-18-29-30-19-22)28-14-11-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,18-19,23-24H,11-17H2,(H,28,32)(H,29,30)
InChIKeyFDWHKKNVCBKWMJ-UHFFFAOYSA-N
XLogP3.99
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-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

(2S)-6-(1H-pyrazole-4-carbonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42246638
(2S)-6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3,3-diphenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26357999
(2S)-N-(3,3-diphenylpropyl)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42540711
(2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42407474
methyl 4-[[(2R)-2-(3,3-diphenylpropylcarbamoyl)-6-azaspiro[2.5]octan-6-yl]methyl]benzoate
CID 42371524
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 136577275
N-(3,3-diphenylpropyl)-6-[(E)-3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45253008
N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 75102703
(2S)-6-(cyclohexanecarbonyl)-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42541635
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrazol-4-yl)methanone
CID 110853513
(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42480930
(2S)-6-(2,5-dimethylpyrazole-3-carbonyl)-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42318265

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45176540) is N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)C1CC12CCN(C(=O)c1cn[nH]c1)CC2.
What is the InChIKey of N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is FDWHKKNVCBKWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-25(24-17-27(24)12-15-31(16-13-27)26(33)22-18-29-30-19-22)28-14-11-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,18-19,23-24H,11-17H2,(H,28,32)(H,29,30).
What are the key properties of N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-6-(1H-pyrazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45176540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).