5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

C17H24F6N4O5 — CID 154891150

IUPAC5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCCN1CCC(NC(=O)c2ncc(C)[nH]2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4O.2C2HF3O2/c1-3-6-17-7-4-11(5-8-17)16-13(18)12-14-9-10(2)15-12;2*3-2(4,5)1(6)7/h9,11H,3-8H2,1-2H3,(H,14,15)(H,16,18);2*(H,6,7)
InChIKeyIRMGBQHLAMTUIK-UHFFFAOYSA-N
MW478.39 g/mol
LogP2.59
Rot. Bonds4

About 5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154891150) has the molecular formula C17H24F6N4O5 and a molecular weight of 478.39 g/mol. Its IUPAC name is 5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID154891150
Molecular FormulaC17H24F6N4O5
Molecular Weight478.39 g/mol
Exact Mass478.17
IUPAC Name5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCCN1CCC(NC(=O)c2ncc(C)[nH]2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4O.2C2HF3O2/c1-3-6-17-7-4-11(5-8-17)16-13(18)12-14-9-10(2)15-12;2*3-2(4,5)1(6)7/h9,11H,3-8H2,1-2H3,(H,14,15)(H,16,18);2*(H,6,7)
InChIKeyIRMGBQHLAMTUIK-UHFFFAOYSA-N
XLogP2.59
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.39
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 118745401
2-[5-[(4-aminocyclohexyl)amino]-3-chloro-2-methyl-6-oxopyrazin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid
CID 44394710
N-[(2S)-1-amino-5-[(1-amino-2-fluoroethylidene)amino]-1-oxopentan-2-yl]-1H-imidazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 54756932
2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 71990140
N-[(1-ethylpiperidin-4-yl)methyl]-4-methyl-1H-imidazole-2-carboxamide
CID 77086075
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1H-imidazole-2-carboxamide
CID 91793008
N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid
CID 118743520
2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746220
N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746397
bis(2,2,2-trifluoroacetic acid);N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 118746551
ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 125518090
tert-butyl (3R)-4-(cyclohexylcarbamoyl)-3-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethylcarbamoyl]piperazine-1-carboxylate
CID 59884682

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 154891150) is 5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is CCCN1CCC(NC(=O)c2ncc(C)[nH]2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is IRMGBQHLAMTUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.2C2HF3O2/c1-3-6-17-7-4-11(5-8-17)16-13(18)12-14-9-10(2)15-12;2*3-2(4,5)1(6)7/h9,11H,3-8H2,1-2H3,(H,14,15)(H,16,18);2*(H,6,7).
What are the key properties of 5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 478.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-propylpiperidin-4-yl)-1H-imidazole-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154891150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).