N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide

C15H24N4O — CID 131663959

IUPACN-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)C1CCCC12CCN(Cc1cncn1C)C2
InChIInChI=1S/C15H24N4O/c1-16-14(20)13-4-3-5-15(13)6-7-19(10-15)9-12-8-17-11-18(12)2/h8,11,13H,3-7,9-10H2,1-2H3,(H,16,20)
InChIKeyRBLNWRQCEDSKPF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.16
Rot. Bonds3

About N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide

N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 131663959) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID131663959
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)C1CCCC12CCN(Cc1cncn1C)C2
InChIInChI=1S/C15H24N4O/c1-16-14(20)13-4-3-5-15(13)6-7-19(10-15)9-12-8-17-11-18(12)2/h8,11,13H,3-7,9-10H2,1-2H3,(H,16,20)
InChIKeyRBLNWRQCEDSKPF-UHFFFAOYSA-N
XLogP1.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,9R)-2-[(3-methylimidazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897797
(5R,9S)-2-[(3-methylimidazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897798
(5S,9S)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897364
(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895982
(5S,9S)-N-methyl-2-[(3-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896192
(5S,9R)-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897341
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 131643082
(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896026
(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896562
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896563
[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98897335
(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895593

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide (CID 131663959) is N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide is CNC(=O)C1CCCC12CCN(Cc1cncn1C)C2.
What is the InChIKey of N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is RBLNWRQCEDSKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-16-14(20)13-4-3-5-15(13)6-7-19(10-15)9-12-8-17-11-18(12)2/h8,11,13H,3-7,9-10H2,1-2H3,(H,16,20).
What are the key properties of N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide?
N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylimidazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 131663959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).