(2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone

C22H31N3O — CID 163791059

IUPAC(2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone
SMILESCC1=C(c2ccccc2)N2CC(C)CC(C(=O)N3CCCCC3)C2(C)N1
InChIInChI=1S/C22H31N3O/c1-16-14-19(21(26)24-12-8-5-9-13-24)22(3)23-17(2)20(25(22)15-16)18-10-6-4-7-11-18/h4,6-7,10-11,16,19,23H,5,8-9,12-15H2,1-3H3
InChIKeyMWTMOKNQCWXTNG-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.66
Rot. Bonds2

About (2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone

(2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone (PubChem CID 163791059) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is (2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone
PubChem CID163791059
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name(2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone
SMILESCC1=C(c2ccccc2)N2CC(C)CC(C(=O)N3CCCCC3)C2(C)N1
InChIInChI=1S/C22H31N3O/c1-16-14-19(21(26)24-12-8-5-9-13-24)22(3)23-17(2)20(25(22)15-16)18-10-6-4-7-11-18/h4,6-7,10-11,16,19,23H,5,8-9,12-15H2,1-3H3
InChIKeyMWTMOKNQCWXTNG-UHFFFAOYSA-N
XLogP3.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone (CID 163791059) is (2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone is CC1=C(c2ccccc2)N2CC(C)CC(C(=O)N3CCCCC3)C2(C)N1.
What is the InChIKey of (2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone?
The InChIKey is MWTMOKNQCWXTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-16-14-19(21(26)24-12-8-5-9-13-24)22(3)23-17(2)20(25(22)15-16)18-10-6-4-7-11-18/h4,6-7,10-11,16,19,23H,5,8-9,12-15H2,1-3H3.
What are the key properties of (2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone?
(2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone has a molecular weight of 353.51 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,8a-trimethyl-3-phenyl-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-8-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 163791059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).