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

C14H22N4O — CID 62928895

IUPAC3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
SMILESNCCC1CCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C14H22N4O/c15-6-3-11-4-8-17(9-5-11)13-14(19)18(10-7-16-13)12-1-2-12/h7,10-12H,1-6,8-9,15H2
InChIKeyRDASHSRZRBMHQO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.14
Rot. Bonds4

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

3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one (PubChem CID 62928895) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
PubChem CID62928895
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
SMILESNCCC1CCN(c2nccn(C3CC3)c2=O)CC1
InChIInChI=1S/C14H22N4O/c15-6-3-11-4-8-17(9-5-11)13-14(19)18(10-7-16-13)12-1-2-12/h7,10-12H,1-6,8-9,15H2
InChIKeyRDASHSRZRBMHQO-UHFFFAOYSA-N
XLogP1.14
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one (CID 62928895) is 3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one is NCCC1CCN(c2nccn(C3CC3)c2=O)CC1.
What is the InChIKey of 3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one?
The InChIKey is RDASHSRZRBMHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-6-3-11-4-8-17(9-5-11)13-14(19)18(10-7-16-13)12-1-2-12/h7,10-12H,1-6,8-9,15H2.
What are the key properties of 3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one?
3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.14, 4 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-cyclopropylpyrazin-2-one is sourced from PubChem (CID 62928895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).