[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone

C19H25N3O2 — CID 31017514

IUPAC[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)[C@H]2CCCN(Cc3ncc[nH]3)C2)cc1C
InChIInChI=1S/C19H25N3O2/c1-13-9-16(10-14(2)19(13)24-3)18(23)15-5-4-8-22(11-15)12-17-20-6-7-21-17/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyUUHOTUDGOPAORI-HNNXBMFYSA-N
MW327.43 g/mol
LogP3.13
Rot. Bonds5

About [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone

[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 31017514) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID31017514
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)[C@H]2CCCN(Cc3ncc[nH]3)C2)cc1C
InChIInChI=1S/C19H25N3O2/c1-13-9-16(10-14(2)19(13)24-3)18(23)15-5-4-8-22(11-15)12-17-20-6-7-21-17/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyUUHOTUDGOPAORI-HNNXBMFYSA-N
XLogP3.13
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone 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 [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone (CID 31017514) is [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3ncc[nH]3)C2)cc1C.
What is the InChIKey of [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is UUHOTUDGOPAORI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-9-16(10-14(2)19(13)24-3)18(23)15-5-4-8-22(11-15)12-17-20-6-7-21-17/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone?
[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 31017514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).