3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one

C12H20N4O — CID 62940456

IUPAC3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(CCN)CC2)c1=O
InChIInChI=1S/C12H20N4O/c1-15-9-6-14-11(12(15)17)16-7-3-10(2-5-13)4-8-16/h6,9-10H,2-5,7-8,13H2,1H3
InChIKeyTYMBGDBULZNWRO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.35
Rot. Bonds3

About 3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 62940456) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID62940456
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(CCN)CC2)c1=O
InChIInChI=1S/C12H20N4O/c1-15-9-6-14-11(12(15)17)16-7-3-10(2-5-13)4-8-16/h6,9-10H,2-5,7-8,13H2,1H3
InChIKeyTYMBGDBULZNWRO-UHFFFAOYSA-N
XLogP0.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 62928895
3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 82692612
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 79735589
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
1-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 63267799
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
3-[4-(1-aminopentan-2-yl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 63339478

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one (CID 62940456) is 3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(CCN)CC2)c1=O.
What is the InChIKey of 3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is TYMBGDBULZNWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-9-6-14-11(12(15)17)16-7-3-10(2-5-13)4-8-16/h6,9-10H,2-5,7-8,13H2,1H3.
What are the key properties of 3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 62940456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).