3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one

C17H28N4O2 — CID 128992835

IUPAC3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCOC1CCC(NC2CCCN(c3nccn(C)c3=O)C2)CC1
InChIInChI=1S/C17H28N4O2/c1-20-11-9-18-16(17(20)22)21-10-3-4-14(12-21)19-13-5-7-15(23-2)8-6-13/h9,11,13-15,19H,3-8,10,12H2,1-2H3
InChIKeyVYRQLMIXRNCPQX-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.30
Rot. Bonds4

About 3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one

3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 128992835) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID128992835
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCOC1CCC(NC2CCCN(c3nccn(C)c3=O)C2)CC1
InChIInChI=1S/C17H28N4O2/c1-20-11-9-18-16(17(20)22)21-10-3-4-14(12-21)19-13-5-7-15(23-2)8-6-13/h9,11,13-15,19H,3-8,10,12H2,1-2H3
InChIKeyVYRQLMIXRNCPQX-UHFFFAOYSA-N
XLogP1.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[(3R)-3-[(4-phenylcyclohexyl)amino]piperidin-1-yl]pyrazin-2-one
CID 129474978
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497
3-[(3R)-3-[[(2R)-1-methoxypropan-2-yl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475575
3-[3-[[3-(4-chlorophenyl)cyclobutyl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128995472
3-[3-(4-methoxybutan-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 128976310
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
1-methyl-3-[3-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]pyrazin-2-one
CID 136542354
3-[(3S)-3-[[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343258
3-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 154736082
4-methyl-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide
CID 128990786

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one (CID 128992835) is 3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one is COC1CCC(NC2CCCN(c3nccn(C)c3=O)C2)CC1.
What is the InChIKey of 3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is VYRQLMIXRNCPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20-11-9-18-16(17(20)22)21-10-3-4-14(12-21)19-13-5-7-15(23-2)8-6-13/h9,11,13-15,19H,3-8,10,12H2,1-2H3.
What are the key properties of 3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 320.44 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 128992835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).