(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one

C18H26N2O — CID 97145923

IUPAC(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C18H26N2O/c1-15(2)7-6-10-18(3)11-9-17(21)20(14-18)13-16-8-4-5-12-19-16/h4-5,7-8,12H,6,9-11,13-14H2,1-3H3/t18-/m0/s1
InChIKeyMOCFJJNGNVIIHK-SFHVURJKSA-N
MW286.42 g/mol
LogP3.96
Rot. Bonds5

About (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one

(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one (PubChem CID 97145923) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one
PubChem CID97145923
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one
SMILESCC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C18H26N2O/c1-15(2)7-6-10-18(3)11-9-17(21)20(14-18)13-16-8-4-5-12-19-16/h4-5,7-8,12H,6,9-11,13-14H2,1-3H3/t18-/m0/s1
InChIKeyMOCFJJNGNVIIHK-SFHVURJKSA-N
XLogP3.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one
CID 97151555
5-methyl-1-[(1-methylimidazol-2-yl)methyl]-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72847770
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-2-one
CID 97128405
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72880131
(5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 97143124
1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72909890
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]piperidin-2-one
CID 97139352
7,7-dimethyl-1-(pyridin-2-ylmethyl)-1,5-diazocan-2-one
CID 117014948
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
(6R)-8-(2-hydroxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896840
9-(3-ethylsulfanylpropanoyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72874009
9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70762499

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
The IUPAC name of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one (CID 97145923) is (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
The canonical SMILES for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one is CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
The InChIKey is MOCFJJNGNVIIHK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15(2)7-6-10-18(3)11-9-17(21)20(14-18)13-16-8-4-5-12-19-16/h4-5,7-8,12H,6,9-11,13-14H2,1-3H3/t18-/m0/s1.
What are the key properties of (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one?
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyridin-2-ylmethyl)piperidin-2-one is sourced from PubChem (CID 97145923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).