N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C18H26F3N5O2 — CID 154852745

IUPACN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCN(C)C(=O)CN1CCC(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)CC1
InChIInChI=1S/C18H26F3N5O2/c1-24(2)14(27)11-25-9-6-12(7-10-25)22-16(28)15-13-5-3-4-8-26(13)17(23-15)18(19,20)21/h12H,3-11H2,1-2H3,(H,22,28)
InChIKeyNBVBRWFTLXNJJH-UHFFFAOYSA-N
MW401.43 g/mol
LogP1.52
Rot. Bonds4

About N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 154852745) has the molecular formula C18H26F3N5O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID154852745
Molecular FormulaC18H26F3N5O2
Molecular Weight401.43 g/mol
Exact Mass401.20
IUPAC NameN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCN(C)C(=O)CN1CCC(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)CC1
InChIInChI=1S/C18H26F3N5O2/c1-24(2)14(27)11-25-9-6-12(7-10-25)22-16(28)15-13-5-3-4-8-26(13)17(23-15)18(19,20)21/h12H,3-11H2,1-2H3,(H,22,28)
InChIKeyNBVBRWFTLXNJJH-UHFFFAOYSA-N
XLogP1.52
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 95786877
[(3S)-3-propan-2-ylpiperazin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 138030966
3-(4,4-difluorocyclohexyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 58054241
3-But-2-ynyl-5-methyl-2-piperazin-1-yl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-d]pyridazin-4-one
CID 58636627
3-But-2-ynyl-5-methyl-2-piperidin-1-yl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-d]pyridazin-4-one
CID 58638164
3-(4,4-difluorocyclohexyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 76680439
1-[4-[3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonyl]piperazin-1-yl]ethanone
CID 141192706
(3-Aminopiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
CID 141192715
2-Methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one;propane
CID 143827431
5-Methyl-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]-2,5,7-triazaspiro[3.4]octan-8-one
CID 154847724
1-Methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
CID 64857209
3-[2-(Trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
CID 64858315

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 154852745) is N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CN(C)C(=O)CN1CCC(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)CC1.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is NBVBRWFTLXNJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N5O2/c1-24(2)14(27)11-25-9-6-12(7-10-25)22-16(28)15-13-5-3-4-8-26(13)17(23-15)18(19,20)21/h12H,3-11H2,1-2H3,(H,22,28).
What are the key properties of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 154852745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).