3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one

C15H26N4O — CID 63853331

IUPAC3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCCC(C(C)N)C2)c1=O
InChIInChI=1S/C15H26N4O/c1-11(2)9-19-8-6-17-14(15(19)20)18-7-4-5-13(10-18)12(3)16/h6,8,11-13H,4-5,7,9-10,16H2,1-3H3
InChIKeySARBUOWICYKQEZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.46
Rot. Bonds4

About 3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one

3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 63853331) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID63853331
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCCC(C(C)N)C2)c1=O
InChIInChI=1S/C15H26N4O/c1-11(2)9-19-8-6-17-14(15(19)20)18-7-4-5-13(10-18)12(3)16/h6,8,11-13H,4-5,7,9-10,16H2,1-3H3
InChIKeySARBUOWICYKQEZ-UHFFFAOYSA-N
XLogP1.46
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63852836
3-[3-(chloromethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 55184247
methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate
CID 115538473
1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63853697
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 113360798
3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one
CID 107407490
N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide
CID 79670685
3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one
CID 102986648
4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 63721569
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 82685587
3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
CID 63392087
1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one
CID 62929242

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (CID 63853331) is 3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N2CCCC(C(C)N)C2)c1=O.
What is the InChIKey of 3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is SARBUOWICYKQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)9-19-8-6-17-14(15(19)20)18-7-4-5-13(10-18)12(3)16/h6,8,11-13H,4-5,7,9-10,16H2,1-3H3.
What are the key properties of 3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 63853331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).