3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one

C15H26N4O — CID 63255696

IUPAC3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one
SMILESCC(N)C1CCCCN1c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O/c1-11(16)12-7-5-6-9-18(12)13-14(20)19(10-8-17-13)15(2,3)4/h8,10-12H,5-7,9,16H2,1-4H3
InChIKeyPKMCJWOHFRKDEG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.70
Rot. Bonds2

About 3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one

3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one (PubChem CID 63255696) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one
PubChem CID63255696
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one
SMILESCC(N)C1CCCCN1c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H26N4O/c1-11(16)12-7-5-6-9-18(12)13-14(20)19(10-8-17-13)15(2,3)4/h8,10-12H,5-7,9,16H2,1-4H3
InChIKeyPKMCJWOHFRKDEG-UHFFFAOYSA-N
XLogP1.70
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one
CID 62929202
1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
CID 62928711
3-[2-(bromomethyl)pyrrolidin-1-yl]-1-tert-butylpyrazin-2-one
CID 80667305
1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107070229
1-tert-butyl-3-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
CID 62929060
6-[2-(1-aminoethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63256099
3-(3-aminopyrrolidin-1-yl)-1-tert-butylpyrazin-2-one
CID 62927962
1-ethyl-3-[2-[1-(ethylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63854758
3-[4-(bromomethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one
CID 80669820
1-[1-(5-methylpyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63255605
1-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63617392
1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one
CID 114680888

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one?
The IUPAC name of 3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one (CID 63255696) is 3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one.
What is the SMILES notation for 3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one?
The canonical SMILES for 3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one is CC(N)C1CCCCN1c1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one?
The InChIKey is PKMCJWOHFRKDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(16)12-7-5-6-9-18(12)13-14(20)19(10-8-17-13)15(2,3)4/h8,10-12H,5-7,9,16H2,1-4H3.
What are the key properties of 3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one?
3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one is sourced from PubChem (CID 63255696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).