3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one

C16H20N4O — CID 59830278

IUPAC3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H20N4O/c21-16-15(17-8-9-18-16)19-14-6-10-20(11-7-14)12-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2,(H,17,19)(H,18,21)
InChIKeyFQJCAWHAWOWUAJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.85
Rot. Bonds4

About 3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one

3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one (PubChem CID 59830278) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one
PubChem CID59830278
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H20N4O/c21-16-15(17-8-9-18-16)19-14-6-10-20(11-7-14)12-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2,(H,17,19)(H,18,21)
InChIKeyFQJCAWHAWOWUAJ-UHFFFAOYSA-N
XLogP1.85
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one (CID 59830278) is 3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one is O=c1[nH]ccnc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one?
The InChIKey is FQJCAWHAWOWUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16-15(17-8-9-18-16)19-14-6-10-20(11-7-14)12-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2,(H,17,19)(H,18,21).
What are the key properties of 3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one?
3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 59830278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).