(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).