1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one

C15H26N4O — CID 62929242

IUPAC1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCCC(CNC(C)C)C2)c1=O
InChIInChI=1S/C15H26N4O/c1-4-18-9-7-16-14(15(18)20)19-8-5-6-13(11-19)10-17-12(2)3/h7,9,12-13,17H,4-6,8,10-11H2,1-3H3
InChIKeyCSKNWYCDHSSBEL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.48
Rot. Bonds5

About 1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one

1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one (PubChem CID 62929242) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one
PubChem CID62929242
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCCC(CNC(C)C)C2)c1=O
InChIInChI=1S/C15H26N4O/c1-4-18-9-7-16-14(15(18)20)19-8-5-6-13(11-19)10-17-12(2)3/h7,9,12-13,17H,4-6,8,10-11H2,1-3H3
InChIKeyCSKNWYCDHSSBEL-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63853697
3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
CID 63392087
3-[3-(chloromethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 55184247
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 63241718
5-chloro-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977969
3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one
CID 102986648
1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587780
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588134
3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63852836

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one (CID 62929242) is 1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one is CCn1ccnc(N2CCCC(CNC(C)C)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one?
The InChIKey is CSKNWYCDHSSBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-18-9-7-16-14(15(18)20)19-8-5-6-13(11-19)10-17-12(2)3/h7,9,12-13,17H,4-6,8,10-11H2,1-3H3.
What are the key properties of 1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one?
1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 62929242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).