3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

C25H29N3O2 — CID 90493537

IUPAC3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O2/c1-30-23-10-7-20(8-11-23)9-12-24(29)27-16-13-21(14-17-27)19-28-18-15-26-25(28)22-5-3-2-4-6-22/h2-8,10-11,15,18,21H,9,12-14,16-17,19H2,1H3
InChIKeyFKNYPZCSDDCNTO-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.43
Rot. Bonds7

About 3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 90493537) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID90493537
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O2/c1-30-23-10-7-20(8-11-23)9-12-24(29)27-16-13-21(14-17-27)19-28-18-15-26-25(28)22-5-3-2-4-6-22/h2-8,10-11,15,18,21H,9,12-14,16-17,19H2,1H3
InChIKeyFKNYPZCSDDCNTO-UHFFFAOYSA-N
XLogP4.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
1-(4-chlorophenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 90492938
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylimidazol-1-yl)propan-1-one
CID 44594645
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
3-(4-methoxyphenyl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558759
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492933
1-(3-methoxyphenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493015
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494541
2-(4-methoxyphenoxy)-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560653

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 90493537) is 3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is FKNYPZCSDDCNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-30-23-10-7-20(8-11-23)9-12-24(29)27-16-13-21(14-17-27)19-28-18-15-26-25(28)22-5-3-2-4-6-22/h2-8,10-11,15,18,21H,9,12-14,16-17,19H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 403.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90493537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).