N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide

C21H26N4O2 — CID 171631253

IUPACN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccccc2)n1C)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H26N4O2/c1-15(20(27)25-12-10-21(8-9-21)11-13-25)23-19(26)17-14-22-18(24(17)2)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,23,26)
InChIKeyUSIKXNZNWDQWCQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.61
Rot. Bonds4

About N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide

N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide (PubChem CID 171631253) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide
PubChem CID171631253
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccccc2)n1C)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H26N4O2/c1-15(20(27)25-12-10-21(8-9-21)11-13-25)23-19(26)17-14-22-18(24(17)2)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,23,26)
InChIKeyUSIKXNZNWDQWCQ-UHFFFAOYSA-N
XLogP2.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 174372863
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
CID 171631464
1-(6-azaspiro[2.5]octan-6-yl)-2-[[hydroxy-(6-phenyl-3-pyridinyl)methyl]amino]propan-1-one
CID 174373482
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-cyclopropylbenzamide
CID 171631480
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridine-3-carboxamide
CID 171631062
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 176994031
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 171631075
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-2-[(1S,2S)-2-methylcyclopropyl]pyrimidine-5-carboxamide
CID 171631065
N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 171631270
N-[1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 80702651
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-(2,2-difluorocyclopropyl)benzamide
CID 171631173
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]propan-1-one
CID 171631725

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide?
The IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide (CID 171631253) is N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide is CC(NC(=O)c1cnc(-c2ccccc2)n1C)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide?
The InChIKey is USIKXNZNWDQWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(20(27)25-12-10-21(8-9-21)11-13-25)23-19(26)17-14-22-18(24(17)2)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide?
N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-3-methyl-2-phenylimidazole-4-carboxamide is sourced from PubChem (CID 171631253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).