2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide

C18H30N4O2 — CID 75522922

IUPAC2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide
SMILESCC(C)Oc1nccnc1N1CCCC(CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C18H30N4O2/c1-13(2)24-16-15(19-8-9-20-16)22-10-6-7-14(12-22)11-21-17(23)18(3,4)5/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,21,23)
InChIKeyMQIISLGDIBPDMI-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.64
Rot. Bonds5

About 2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide

2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide (PubChem CID 75522922) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide
PubChem CID75522922
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide
SMILESCC(C)Oc1nccnc1N1CCCC(CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C18H30N4O2/c1-13(2)24-16-15(19-8-9-20-16)22-10-6-7-14(12-22)11-21-17(23)18(3,4)5/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,21,23)
InChIKeyMQIISLGDIBPDMI-UHFFFAOYSA-N
XLogP2.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide (CID 75522922) is 2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide is CC(C)Oc1nccnc1N1CCCC(CNC(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide?
The InChIKey is MQIISLGDIBPDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)24-16-15(19-8-9-20-16)22-10-6-7-14(12-22)11-21-17(23)18(3,4)5/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,21,23).
What are the key properties of 2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide?
2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 75522922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).