8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

C21H29N5O — CID 126434651

IUPAC8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESC[C@@H](NC(=O)N1CCC2(CCN(C)CC2)C1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H29N5O/c1-17(18-14-22-26(15-18)19-6-4-3-5-7-19)23-20(27)25-13-10-21(16-25)8-11-24(2)12-9-21/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,23,27)/t17-/m1/s1
InChIKeyUUEKTVBNOHRZFT-QGZVFWFLSA-N
MW367.50 g/mol
LogP3.06
Rot. Bonds3

About 8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 126434651) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID126434651
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESC[C@@H](NC(=O)N1CCC2(CCN(C)CC2)C1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H29N5O/c1-17(18-14-22-26(15-18)19-6-4-3-5-7-19)23-20(27)25-13-10-21(16-25)8-11-24(2)12-9-21/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,23,27)/t17-/m1/s1
InChIKeyUUEKTVBNOHRZFT-QGZVFWFLSA-N
XLogP3.06
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide with MolForge

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Related Compounds

4-(azepan-1-yl)-4-oxo-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 99983340
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
CID 99974325
N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-2-azaspiro[4.6]undecane-2-carboxamide
CID 126427038
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
2,3-dimethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 81473453
3-oxo-2-phenyl-N-propan-2-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118741086
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
2-ethoxy-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 126799308
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 126434651) is 8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is C[C@@H](NC(=O)N1CCC2(CCN(C)CC2)C1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is UUEKTVBNOHRZFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N5O/c1-17(18-14-22-26(15-18)19-6-4-3-5-7-19)23-20(27)25-13-10-21(16-25)8-11-24(2)12-9-21/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,23,27)/t17-/m1/s1.
What are the key properties of 8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 126434651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).