(2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C27H32N4O — CID 42245962

IUPAC(2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@@H]1CC12CCN(Cc1cnn(-c3ccccc3)c1)CC2
InChIInChI=1S/C27H32N4O/c32-26(28-15-7-10-22-8-3-1-4-9-22)25-18-27(25)13-16-30(17-14-27)20-23-19-29-31(21-23)24-11-5-2-6-12-24/h1-6,8-9,11-12,19,21,25H,7,10,13-18,20H2,(H,28,32)/t25-/m0/s1
InChIKeyIZEHCWADTZSELS-VWLOTQADSA-N
MW428.58 g/mol
LogP4.22
Rot. Bonds8

About (2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42245962) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is (2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42245962
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name(2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@@H]1CC12CCN(Cc1cnn(-c3ccccc3)c1)CC2
InChIInChI=1S/C27H32N4O/c32-26(28-15-7-10-22-8-3-1-4-9-22)25-18-27(25)13-16-30(17-14-27)20-23-19-29-31(21-23)24-11-5-2-6-12-24/h1-6,8-9,11-12,19,21,25H,7,10,13-18,20H2,(H,28,32)/t25-/m0/s1
InChIKeyIZEHCWADTZSELS-VWLOTQADSA-N
XLogP4.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-6-[(2,4,5-trimethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45216913
(2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42434992
N-(3-pyridin-4-ylpropyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465408
(2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26351280
N-(2-phenylethyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126464637
6-[[4-(2-methylphenyl)phenyl]methyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45199739
6-benzyl-N-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462699
6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126467180
(2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42407474
(2S)-6-(2,5-dimethylpyrazole-3-carbonyl)-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42318265
(2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26353127
(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42480930

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 42245962) is (2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCCc1ccccc1)[C@@H]1CC12CCN(Cc1cnn(-c3ccccc3)c1)CC2.
What is the InChIKey of (2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is IZEHCWADTZSELS-VWLOTQADSA-N. The full InChI is InChI=1S/C27H32N4O/c32-26(28-15-7-10-22-8-3-1-4-9-22)25-18-27(25)13-16-30(17-14-27)20-23-19-29-31(21-23)24-11-5-2-6-12-24/h1-6,8-9,11-12,19,21,25H,7,10,13-18,20H2,(H,28,32)/t25-/m0/s1.
What are the key properties of (2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42245962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).