(4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

C19H27F3N4O — CID 138057137

IUPAC(4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCC(C2CCCNC2)CC1
InChIInChI=1S/C19H27F3N4O/c20-19(21,22)18-24-16(15-5-1-2-9-26(15)18)17(27)25-10-6-13(7-11-25)14-4-3-8-23-12-14/h13-14,23H,1-12H2
InChIKeyHBBQHUFPIJDECV-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.09
Rot. Bonds2

About (4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

(4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (PubChem CID 138057137) has the molecular formula C19H27F3N4O and a molecular weight of 384.45 g/mol. Its IUPAC name is (4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.

Molecular Properties

Compound Name(4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
PubChem CID138057137
Molecular FormulaC19H27F3N4O
Molecular Weight384.45 g/mol
Exact Mass384.21
IUPAC Name(4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCC(C2CCCNC2)CC1
InChIInChI=1S/C19H27F3N4O/c20-19(21,22)18-24-16(15-5-1-2-9-26(15)18)17(27)25-10-6-13(7-11-25)14-4-3-8-23-12-14/h13-14,23H,1-12H2
InChIKeyHBBQHUFPIJDECV-UHFFFAOYSA-N
XLogP3.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
Cyclopentyl-(3-trifluoromethyl-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazin-1-yl)-methanone
CID 57518459
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
7-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 155480634
2-Methyl-1-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]butan-1-one
CID 143827432
N-(1-cyanocyclopropyl)-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyridine-1-carboxamide
CID 145907758
N-[(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 146108758
N-cyclopropyl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]propanamide
CID 146114139
1-Piperidin-1-yl-2-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]ethanone
CID 146114141
4-(Methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one
CID 146114276

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The IUPAC name of (4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (CID 138057137) is (4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.
What is the SMILES notation for (4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The canonical SMILES for (4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCC(C2CCCNC2)CC1.
What is the InChIKey of (4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The InChIKey is HBBQHUFPIJDECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O/c20-19(21,22)18-24-16(15-5-1-2-9-26(15)18)17(27)25-10-6-13(7-11-25)14-4-3-8-23-12-14/h13-14,23H,1-12H2.
What are the key properties of (4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
(4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone has a molecular weight of 384.45 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-3-ylpiperidin-1-yl)-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is sourced from PubChem (CID 138057137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).