2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C25H29N3O2 — CID 11373068

IUPAC2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2ccccc2)(c2nccn2C(C)c2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-20(21-9-5-3-6-10-21)28-18-15-26-24(28)25(22-11-7-4-8-12-22)13-16-27(17-14-25)23(29)19-30-2/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3
InChIKeyTXWOTCVSUZXJMH-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.05
Rot. Bonds6

About 2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 11373068) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID11373068
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2ccccc2)(c2nccn2C(C)c2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-20(21-9-5-3-6-10-21)28-18-15-26-24(28)25(22-11-7-4-8-12-22)13-16-27(17-14-25)23(29)19-30-2/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3
InChIKeyTXWOTCVSUZXJMH-UHFFFAOYSA-N
XLogP4.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(1H-imidazol-1-yl)carbonyl]-4-(diphenylmethyl)piperazine
CID 70148936
ethyl 4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 9843334
propyl 4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 10179322
isopropyl 4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 10179323
ethyl 4-phenyl-4-(1-(1-phenylethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 11246669
1-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)-2-methoxyethanone
CID 11280721
phenyl(4-phenyl-4-(1-(1-phenylethyl)-1H-imidazol-2-yl)piperidin-1-yl)methanone
CID 11430490
4-(1-benzyl-1H-imidazol-2-yl)-N-methyl-N,4-diphenylpiperidine-1-carboxamide
CID 44406285
4-(1-benzyl-1H-imidazol-2-yl)-N-ethyl-4-phenylpiperidine-1-carboxamide
CID 44406109
(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)(4-methylpiperazin-1-yl)methanone
CID 44406110
4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxamide
CID 44406286
1-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)ethanone
CID 44432560

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 11373068) is 2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2ccccc2)(c2nccn2C(C)c2ccccc2)CC1.
What is the InChIKey of 2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is TXWOTCVSUZXJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-20(21-9-5-3-6-10-21)28-18-15-26-24(28)25(22-11-7-4-8-12-22)13-16-27(17-14-25)23(29)19-30-2/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 403.53 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-phenyl-4-[1-(1-phenylethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 11373068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).