N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide

C17H26N4O2 — CID 72867559

IUPACN-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)C2CCCN(C3CCOCC3)C2)cn1
InChIInChI=1S/C17H26N4O2/c1-13-9-19-15(10-18-13)11-20-17(22)14-3-2-6-21(12-14)16-4-7-23-8-5-16/h9-10,14,16H,2-8,11-12H2,1H3,(H,20,22)
InChIKeyCLIYYBGQSMVWQZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.29
Rot. Bonds4

About N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide

N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 72867559) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID72867559
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)C2CCCN(C3CCOCC3)C2)cn1
InChIInChI=1S/C17H26N4O2/c1-13-9-19-15(10-18-13)11-20-17(22)14-3-2-6-21(12-14)16-4-7-23-8-5-16/h9-10,14,16H,2-8,11-12H2,1H3,(H,20,22)
InChIKeyCLIYYBGQSMVWQZ-UHFFFAOYSA-N
XLogP1.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide (CID 72867559) is N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide is Cc1cnc(CNC(=O)C2CCCN(C3CCOCC3)C2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is CLIYYBGQSMVWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-9-19-15(10-18-13)11-20-17(22)14-3-2-6-21(12-14)16-4-7-23-8-5-16/h9-10,14,16H,2-8,11-12H2,1H3,(H,20,22).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 72867559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).