1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one

C15H26N4O — CID 62928367

IUPAC1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one
SMILESCNCC1CCN(c2nccn(C(C)(C)C)c2=O)CC1
InChIInChI=1S/C15H26N4O/c1-15(2,3)19-10-7-17-13(14(19)20)18-8-5-12(6-9-18)11-16-4/h7,10,12,16H,5-6,8-9,11H2,1-4H3
InChIKeyYANYKSGRJSZVPW-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.43
Rot. Bonds3

About 1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one

1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one (PubChem CID 62928367) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one
PubChem CID62928367
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one
SMILESCNCC1CCN(c2nccn(C(C)(C)C)c2=O)CC1
InChIInChI=1S/C15H26N4O/c1-15(2,3)19-10-7-17-13(14(19)20)18-8-5-12(6-9-18)11-16-4/h7,10,12,16H,5-6,8-9,11H2,1-4H3
InChIKeyYANYKSGRJSZVPW-UHFFFAOYSA-N
XLogP1.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(bromomethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one
CID 80669820
3-(3-aminopyrrolidin-1-yl)-1-tert-butylpyrazin-2-one
CID 62927962
1-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 63267799
1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one
CID 114680888
2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid
CID 62939430
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
CID 62929060
1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
CID 62928711
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
3-[2-(bromomethyl)pyrrolidin-1-yl]-1-tert-butylpyrazin-2-one
CID 80667305
1-[1-(1-cyclopropylimidazol-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 106552650
1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one (CID 62928367) is 1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one is CNCC1CCN(c2nccn(C(C)(C)C)c2=O)CC1.
What is the InChIKey of 1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one?
The InChIKey is YANYKSGRJSZVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,3)19-10-7-17-13(14(19)20)18-8-5-12(6-9-18)11-16-4/h7,10,12,16H,5-6,8-9,11H2,1-4H3.
What are the key properties of 1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one?
1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 62928367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).