(5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one

C18H29N3O — CID 97152133

IUPAC(5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCC(C)=CCC[C@]1(C)CCC(=O)N(CCCn2ccnc2)C1
InChIInChI=1S/C18H29N3O/c1-16(2)6-4-8-18(3)9-7-17(22)21(14-18)12-5-11-20-13-10-19-15-20/h6,10,13,15H,4-5,7-9,11-12,14H2,1-3H3/t18-/m1/s1
InChIKeyMLYRADOSXUCNER-GOSISDBHSA-N
MW303.45 g/mol
LogP3.65
Rot. Bonds7

About (5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one

(5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one (PubChem CID 97152133) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one.

Molecular Properties

Compound Name(5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
PubChem CID97152133
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCC(C)=CCC[C@]1(C)CCC(=O)N(CCCn2ccnc2)C1
InChIInChI=1S/C18H29N3O/c1-16(2)6-4-8-18(3)9-7-17(22)21(14-18)12-5-11-20-13-10-19-15-20/h6,10,13,15H,4-5,7-9,11-12,14H2,1-3H3/t18-/m1/s1
InChIKeyMLYRADOSXUCNER-GOSISDBHSA-N
XLogP3.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72909890
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
9-[(2R)-2-hydroxybutanoyl]-2-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97136061
2-(3-imidazol-1-ylpropyl)-9-[(2S)-2-pyrrolidin-1-ylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97279786
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
5-methyl-5-(4-methylpent-3-enyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]piperidin-2-one
CID 72939519
6-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid
CID 72900574
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044
8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione
CID 5156407
(6S)-10-(cyclopropylmethyl)-4-(3-imidazol-1-ylpropyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97113864
1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64881186

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The IUPAC name of (5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one (CID 97152133) is (5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one.
What is the SMILES notation for (5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The canonical SMILES for (5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one is CC(C)=CCC[C@]1(C)CCC(=O)N(CCCn2ccnc2)C1.
What is the InChIKey of (5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The InChIKey is MLYRADOSXUCNER-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N3O/c1-16(2)6-4-8-18(3)9-7-17(22)21(14-18)12-5-11-20-13-10-19-15-20/h6,10,13,15H,4-5,7-9,11-12,14H2,1-3H3/t18-/m1/s1.
What are the key properties of (5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
(5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one has a molecular weight of 303.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one is sourced from PubChem (CID 97152133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).