(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one

C21H32N4O — CID 97116844

IUPAC(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)N(C2CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C21H32N4O/c1-17(2)5-4-9-21(3)10-6-20(26)25(16-21)18-7-13-24(14-8-18)19-15-22-11-12-23-19/h5,11-12,15,18H,4,6-10,13-14,16H2,1-3H3/t21-/m0/s1
InChIKeyOJCGOJUVNVKJNR-NRFANRHFSA-N
MW356.51 g/mol
LogP3.82
Rot. Bonds5

About (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one

(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one (PubChem CID 97116844) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one
PubChem CID97116844
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)N(C2CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C21H32N4O/c1-17(2)5-4-9-21(3)10-6-20(26)25(16-21)18-7-13-24(14-8-18)19-15-22-11-12-23-19/h5,11-12,15,18H,4,6-10,13-14,16H2,1-3H3/t21-/m0/s1
InChIKeyOJCGOJUVNVKJNR-NRFANRHFSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
CID 38029875
N-[2-(cyclohexen-1-yl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607878
(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579994
(4aS*,8aR*)-1-(2-cyclohex-1-en-1-ylethyl)-6-pyrazin-2-yloctahydro-1,6-naphthyridin-2(1H)-one
CID 133122606
ethane;1-[(4Z)-3-methylidene-4-[(Z)-pent-3-enylidene]-8-(1-pyrazin-2-ylpiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 143498362
1-[1'-(1-Pyrazin-2-ylpiperidin-4-yl)spiro[2,3,5,6-tetrahydroquinoline-4,4'-piperidine]-1-yl]ethanone
CID 143533060
[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18149172
2-[(1S)-cyclopent-2-en-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 40137962
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 40137963
[(1R)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42022787
[(1S)-cyclohex-3-en-1-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42022790
2-Cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 42938974

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one?
The IUPAC name of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one (CID 97116844) is (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one.
What is the SMILES notation for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one?
The canonical SMILES for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one is CC(C)=CCC[C@@]1(C)CCC(=O)N(C2CCN(c3cnccn3)CC2)C1.
What is the InChIKey of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one?
The InChIKey is OJCGOJUVNVKJNR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H32N4O/c1-17(2)5-4-9-21(3)10-6-20(26)25(16-21)18-7-13-24(14-8-18)19-15-22-11-12-23-19/h5,11-12,15,18H,4,6-10,13-14,16H2,1-3H3/t21-/m0/s1.
What are the key properties of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one?
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one has a molecular weight of 356.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-2-one is sourced from PubChem (CID 97116844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).