1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one

C17H25N5O — CID 128976255

IUPAC1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCC(NCc3ccn(C)c3)CC2)c1=O
InChIInChI=1S/C17H25N5O/c1-3-21-11-7-18-16(17(21)23)22-9-5-15(6-10-22)19-12-14-4-8-20(2)13-14/h4,7-8,11,13,15,19H,3,5-6,9-10,12H2,1-2H3
InChIKeyJPVWBDLDRFBBLT-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.36
Rot. Bonds5

About 1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one

1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one (PubChem CID 128976255) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
PubChem CID128976255
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
SMILESCCn1ccnc(N2CCC(NCc3ccn(C)c3)CC2)c1=O
InChIInChI=1S/C17H25N5O/c1-3-21-11-7-18-16(17(21)23)22-9-5-15(6-10-22)19-12-14-4-8-20(2)13-14/h4,7-8,11,13,15,19H,3,5-6,9-10,12H2,1-2H3
InChIKeyJPVWBDLDRFBBLT-UHFFFAOYSA-N
XLogP1.36
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 128976328
1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 128976284
4-ethyl-N-[1-(4-ethyl-3-oxopyrazin-2-yl)piperidin-4-yl]benzamide
CID 129000920
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 75509073
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-[1-(4-ethyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 129347080
N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
CID 66397450
1-ethyl-3-[4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]pyrazin-2-one
CID 129007467
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071
1-ethyl-3-[4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)piperidin-1-yl]pyrazin-2-one
CID 127974322
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
CID 66400036

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one (CID 128976255) is 1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one is CCn1ccnc(N2CCC(NCc3ccn(C)c3)CC2)c1=O.
What is the InChIKey of 1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
The InChIKey is JPVWBDLDRFBBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-21-11-7-18-16(17(21)23)22-9-5-15(6-10-22)19-12-14-4-8-20(2)13-14/h4,7-8,11,13,15,19H,3,5-6,9-10,12H2,1-2H3.
What are the key properties of 1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one?
1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 128976255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).