3-(piperidin-4-ylamino)-1H-pyrazin-2-one

C9H14N4O — CID 59830267

IUPAC3-(piperidin-4-ylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NC1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9-8(11-5-6-12-9)13-7-1-3-10-4-2-7/h5-7,10H,1-4H2,(H,11,13)(H,12,14)
InChIKeyNLQIWLXYLRBYSY-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.07
Rot. Bonds2

About 3-(piperidin-4-ylamino)-1H-pyrazin-2-one

3-(piperidin-4-ylamino)-1H-pyrazin-2-one (PubChem CID 59830267) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(piperidin-4-ylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(piperidin-4-ylamino)-1H-pyrazin-2-one
PubChem CID59830267
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(piperidin-4-ylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NC1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9-8(11-5-6-12-9)13-7-1-3-10-4-2-7/h5-7,10H,1-4H2,(H,11,13)(H,12,14)
InChIKeyNLQIWLXYLRBYSY-UHFFFAOYSA-N
XLogP-0.07
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(piperidin-4-ylamino)-1H-pyrazin-2-one (CID 59830267) is 3-(piperidin-4-ylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(piperidin-4-ylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(piperidin-4-ylamino)-1H-pyrazin-2-one is O=c1[nH]ccnc1NC1CCNCC1.
What is the InChIKey of 3-(piperidin-4-ylamino)-1H-pyrazin-2-one?
The InChIKey is NLQIWLXYLRBYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9-8(11-5-6-12-9)13-7-1-3-10-4-2-7/h5-7,10H,1-4H2,(H,11,13)(H,12,14).
What are the key properties of 3-(piperidin-4-ylamino)-1H-pyrazin-2-one?
3-(piperidin-4-ylamino)-1H-pyrazin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 59830267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).