N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide

C17H25N5O3 — CID 71786354

IUPACN'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)C(=O)NCC1CCCO1
InChIInChI=1S/C17H25N5O3/c23-16(17(24)21-11-14-2-1-9-25-14)20-10-13-3-7-22(8-4-13)15-12-18-5-6-19-15/h5-6,12-14H,1-4,7-11H2,(H,20,23)(H,21,24)
InChIKeyNIPZCBJMFHDXRZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.10
Rot. Bonds5

About N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide

N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 71786354) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID71786354
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCC1CCN(c2cnccn2)CC1)C(=O)NCC1CCCO1
InChIInChI=1S/C17H25N5O3/c23-16(17(24)21-11-14-2-1-9-25-14)20-10-13-3-7-22(8-4-13)15-12-18-5-6-19-15/h5-6,12-14H,1-4,7-11H2,(H,20,23)(H,21,24)
InChIKeyNIPZCBJMFHDXRZ-UHFFFAOYSA-N
XLogP0.10
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (CID 71786354) is N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is O=C(NCC1CCN(c2cnccn2)CC1)C(=O)NCC1CCCO1.
What is the InChIKey of N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is NIPZCBJMFHDXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c23-16(17(24)21-11-14-2-1-9-25-14)20-10-13-3-7-22(8-4-13)15-12-18-5-6-19-15/h5-6,12-14H,1-4,7-11H2,(H,20,23)(H,21,24).
What are the key properties of N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 347.42 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-2-ylmethyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 71786354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).