2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide

C18H27N5O — CID 72928221

IUPAC2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
SMILESCCC(NC(=O)CC1CCN(CC)CC1)c1cn2cccnc2n1
InChIInChI=1S/C18H27N5O/c1-3-15(16-13-23-9-5-8-19-18(23)21-16)20-17(24)12-14-6-10-22(4-2)11-7-14/h5,8-9,13-15H,3-4,6-7,10-12H2,1-2H3,(H,20,24)
InChIKeyCYTFBQBPNRXHPU-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.42
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide

2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide (PubChem CID 72928221) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
PubChem CID72928221
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
SMILESCCC(NC(=O)CC1CCN(CC)CC1)c1cn2cccnc2n1
InChIInChI=1S/C18H27N5O/c1-3-15(16-13-23-9-5-8-19-18(23)21-16)20-17(24)12-14-6-10-22(4-2)11-7-14/h5,8-9,13-15H,3-4,6-7,10-12H2,1-2H3,(H,20,24)
InChIKeyCYTFBQBPNRXHPU-UHFFFAOYSA-N
XLogP2.42
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide (CID 72928221) is 2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide is CCC(NC(=O)CC1CCN(CC)CC1)c1cn2cccnc2n1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide?
The InChIKey is CYTFBQBPNRXHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-15(16-13-23-9-5-8-19-18(23)21-16)20-17(24)12-14-6-10-22(4-2)11-7-14/h5,8-9,13-15H,3-4,6-7,10-12H2,1-2H3,(H,20,24).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide?
2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide has a molecular weight of 329.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide is sourced from PubChem (CID 72928221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).