(4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone

C19H24ClN3O — CID 25274120

About (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone

(4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone (PubChem CID 25274120) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone
• PubChem CID: 25274120
• Molecular Formula: C19H24ClN3O
• Molecular Weight: 345.87 g/mol
• Exact Mass: 345.16
• IUPAC Name: (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone
• SMILES: CCc1nc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c(C)[nH]1
• InChI: InChI=1S/C19H24ClN3O/c1-3-18-21-13(2)17(22-18)12-23-10-4-5-15(11-23)19(24)14-6-8-16(20)9-7-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,21,22)/t15-/m0/s1
• InChIKey: SUAUQXSAPOVOQH-HNNXBMFYSA-N
• XLogP: 4.03
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.87
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone?

The IUPAC name of (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone (CID 25274120) is (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone.

What is the SMILES notation for (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone?

The canonical SMILES for (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone is CCc1nc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c(C)[nH]1.

What is the InChIKey of (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone?

The InChIKey is SUAUQXSAPOVOQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-3-18-21-13(2)17(22-18)12-23-10-4-5-15(11-23)19(24)14-6-8-16(20)9-7-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,21,22)/t15-/m0/s1.

What are the key properties of (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone?

(4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 345.87 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 25274120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).