[3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

C20H28N4O2 — CID 56873176

IUPAC[3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C)CCN(Cc2c(C(=O)N3CCOCC3)nc3ccccn23)CC1
InChIInChI=1S/C20H28N4O2/c1-20(2)6-9-22(10-7-20)15-16-18(19(25)23-11-13-26-14-12-23)21-17-5-3-4-8-24(16)17/h3-5,8H,6-7,9-15H2,1-2H3
InChIKeyAXKBGXFHFLTFJW-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.43
Rot. Bonds3

About [3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

[3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 56873176) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID56873176
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCC1(C)CCN(Cc2c(C(=O)N3CCOCC3)nc3ccccn23)CC1
InChIInChI=1S/C20H28N4O2/c1-20(2)6-9-22(10-7-20)15-16-18(19(25)23-11-13-26-14-12-23)21-17-5-3-4-8-24(16)17/h3-5,8H,6-7,9-15H2,1-2H3
InChIKeyAXKBGXFHFLTFJW-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (CID 56873176) is [3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is CC1(C)CCN(Cc2c(C(=O)N3CCOCC3)nc3ccccn23)CC1.
What is the InChIKey of [3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is AXKBGXFHFLTFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(2)6-9-22(10-7-20)15-16-18(19(25)23-11-13-26-14-12-23)21-17-5-3-4-8-24(16)17/h3-5,8H,6-7,9-15H2,1-2H3.
What are the key properties of [3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 356.47 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56873176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).