2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide

C18H21N5O2 — CID 97411912

IUPAC2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide
SMILESCn1cnc(C(=O)N2CC3(CCN(C(=O)Nc4ccccc4)C3)C2)c1
InChIInChI=1S/C18H21N5O2/c1-21-9-15(19-13-21)16(24)23-11-18(12-23)7-8-22(10-18)17(25)20-14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,25)
InChIKeyNMNCYZHVQQNVFN-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.80
Rot. Bonds2

About 2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide

2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide (PubChem CID 97411912) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide.

Molecular Properties

Compound Name2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide
PubChem CID97411912
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide
SMILESCn1cnc(C(=O)N2CC3(CCN(C(=O)Nc4ccccc4)C3)C2)c1
InChIInChI=1S/C18H21N5O2/c1-21-9-15(19-13-21)16(24)23-11-18(12-23)7-8-22(10-18)17(25)20-14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,25)
InChIKeyNMNCYZHVQQNVFN-UHFFFAOYSA-N
XLogP1.80
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411
(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 3234504
N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392793
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235269
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
(5S)-7-acetyl-2-methyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438969
N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392794
2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070068
1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157018992
(1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
CID 176503576
2-(3-methylphenyl)-3-oxo-N-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 134070625

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide?
The IUPAC name of 2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide (CID 97411912) is 2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide.
What is the SMILES notation for 2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide?
The canonical SMILES for 2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide is Cn1cnc(C(=O)N2CC3(CCN(C(=O)Nc4ccccc4)C3)C2)c1.
What is the InChIKey of 2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide?
The InChIKey is NMNCYZHVQQNVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-21-9-15(19-13-21)16(24)23-11-18(12-23)7-8-22(10-18)17(25)20-14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,25).
What are the key properties of 2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide?
2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide is sourced from PubChem (CID 97411912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).