3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one

C15H26N4O — CID 106642835

IUPAC3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N(C)CC2CCCNC2)c1=O
InChIInChI=1S/C15H26N4O/c1-12(2)10-19-8-7-17-14(15(19)20)18(3)11-13-5-4-6-16-9-13/h7-8,12-13,16H,4-6,9-11H2,1-3H3
InChIKeyRYZNRRYNSRUYPJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.34
Rot. Bonds5

About 3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 106642835) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID106642835
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N(C)CC2CCCNC2)c1=O
InChIInChI=1S/C15H26N4O/c1-12(2)10-19-8-7-17-14(15(19)20)18(3)11-13-5-4-6-16-9-13/h7-8,12-13,16H,4-6,9-11H2,1-3H3
InChIKeyRYZNRRYNSRUYPJ-UHFFFAOYSA-N
XLogP1.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 107174117
3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106644195
N,1-dimethyl-N-(piperidin-3-ylmethyl)imidazol-2-amine
CID 106642829
3-[2-bromoethyl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80676762
3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80668768
1-cyclopropyl-3-[ethyl(piperidin-3-ylmethyl)amino]pyrazin-2-one
CID 106643625
3-[2-chloroethyl(cyclobutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 102871723
2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
CID 62940465
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
3-[2-chloroethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63388884
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
3-[(3-bromocyclobutyl)methyl-methylamino]-1-ethylpyrazin-2-one
CID 80679911

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 106642835) is 3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N(C)CC2CCCNC2)c1=O.
What is the InChIKey of 3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is RYZNRRYNSRUYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)10-19-8-7-17-14(15(19)20)18(3)11-13-5-4-6-16-9-13/h7-8,12-13,16H,4-6,9-11H2,1-3H3.
What are the key properties of 3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 106642835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).