N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide

C11H15F3N4O2 — CID 141335246

IUPACN-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
SMILESCOC1CNCCC1NC(=O)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H15F3N4O2/c1-20-7-4-15-3-2-6(7)17-10(19)9-16-5-8(18-9)11(12,13)14/h5-7,15H,2-4H2,1H3,(H,16,18)(H,17,19)
InChIKeyILPFRAIBLVLQAL-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.54
Rot. Bonds3

About N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide

N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide (PubChem CID 141335246) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
PubChem CID141335246
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide
SMILESCOC1CNCCC1NC(=O)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C11H15F3N4O2/c1-20-7-4-15-3-2-6(7)17-10(19)9-16-5-8(18-9)11(12,13)14/h5-7,15H,2-4H2,1H3,(H,16,18)(H,17,19)
InChIKeyILPFRAIBLVLQAL-UHFFFAOYSA-N
XLogP0.54
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-2-morpholin-4-ylacetamide
CID 86284829
N-[(3S*,4S*)-1-isopropyl-4-methoxypyrrolidin-3-yl]-4-methyl-1H-imidazole-2-carboxamide
CID 91760957
2-(2-methoxyethyl)-4-[(4-methyl-1H-imidazol-2-yl)carbonyl]morpholine
CID 91765329
1,5-anhydro-3-O-(cyclobutylmethyl)-2,4-dideoxy-4-{[(4-methyl-1H-imidazol-2-yl)carbonyl]amino}-D-erythro-pentitol
CID 91788912
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1H-imidazole-2-carboxamide
CID 91793008
N,5-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-1H-imidazole-2-carboxamide
CID 125527739
tert-butyl (3S,4R)-3-methoxy-4-[[5-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]piperidine-1-carboxylate
CID 68414842
tert-butyl 3-methoxy-4-[[5-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]piperidine-1-carboxylate
CID 68414844
(3S,4R)-3-methoxy-4-[[5-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 68418210
3-methoxy-4-[[5-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 68418214
(3S,4R)-3-methoxy-4-[[5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 68418393
3-methoxy-4-[[5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 68418395

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide (CID 141335246) is N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide is COC1CNCCC1NC(=O)c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The InChIKey is ILPFRAIBLVLQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-20-7-4-15-3-2-6(7)17-10(19)9-16-5-8(18-9)11(12,13)14/h5-7,15H,2-4H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypiperidin-4-yl)-5-(trifluoromethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 141335246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).