(5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one

C18H29N3O — CID 97143124

IUPAC(5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCCn1cncc1CN1C[C@](C)(CCC=C(C)C)CCC1=O
InChIInChI=1S/C18H29N3O/c1-5-20-14-19-11-16(20)12-21-13-18(4,10-8-17(21)22)9-6-7-15(2)3/h7,11,14H,5-6,8-10,12-13H2,1-4H3/t18-/m1/s1
InChIKeyXIEGPMUICLGMPQ-GOSISDBHSA-N
MW303.45 g/mol
LogP3.78
Rot. Bonds6

About (5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one

(5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one (PubChem CID 97143124) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
PubChem CID97143124
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
SMILESCCn1cncc1CN1C[C@](C)(CCC=C(C)C)CCC1=O
InChIInChI=1S/C18H29N3O/c1-5-20-14-19-11-16(20)12-21-13-18(4,10-8-17(21)22)9-6-7-15(2)3/h7,11,14H,5-6,8-10,12-13H2,1-4H3/t18-/m1/s1
InChIKeyXIEGPMUICLGMPQ-GOSISDBHSA-N
XLogP3.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.78
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

2-[(3-Cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72933218
(5S)-1-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 97121376
[4-(5-methylimidazol-1-yl)piperidin-1-yl]-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]methanone
CID 137995603
1-bicyclo[1.1.1]pentanyl-[(2S)-2-(3-ethylimidazol-4-yl)piperidin-1-yl]methanone
CID 164643254
N-[2-(cyclohexen-1-yl)ethyl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45173842
6-[(2-butyl-1H-imidazol-4-yl)methyl]-N-[2-(1-cyclohexen-1-yl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide
CID 45928947
7-(Cyclohexylmethyl)-5-(2-methylbutan-2-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 57917771
4-[[5-[[4-(2,2-Dimethylcyclopropanecarbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]cyclohexa-2,4-diene-1-carbonitrile
CID 142015108
4-[[5-[[4-(2-Ethyl-2-methylbutanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]-1-methylcyclohexa-2,4-diene-1-carbonitrile
CID 142015789
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
CID 167222214
1-(4-butan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-2-(1-methylimidazol-4-yl)ethanone
CID 178633904
2-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45201161

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The IUPAC name of (5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one (CID 97143124) is (5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one.
What is the SMILES notation for (5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The canonical SMILES for (5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one is CCn1cncc1CN1C[C@](C)(CCC=C(C)C)CCC1=O.
What is the InChIKey of (5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
The InChIKey is XIEGPMUICLGMPQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N3O/c1-5-20-14-19-11-16(20)12-21-13-18(4,10-8-17(21)22)9-6-7-15(2)3/h7,11,14H,5-6,8-10,12-13H2,1-4H3/t18-/m1/s1.
What are the key properties of (5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one?
(5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one has a molecular weight of 303.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(3-ethylimidazol-4-yl)methyl]-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one is sourced from PubChem (CID 97143124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).