methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate

C20H27N3O2 — CID 50973066

IUPACmethyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate
SMILESCCCc1c(-c2ccccc2)ncn1C1CCN(CC(=O)OC)CC1
InChIInChI=1S/C20H27N3O2/c1-3-7-18-20(16-8-5-4-6-9-16)21-15-23(18)17-10-12-22(13-11-17)14-19(24)25-2/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3
InChIKeyWVVRLBKUPJMIAM-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.31
Rot. Bonds6

About methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate

methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate (PubChem CID 50973066) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate
PubChem CID50973066
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Namemethyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate
SMILESCCCc1c(-c2ccccc2)ncn1C1CCN(CC(=O)OC)CC1
InChIInChI=1S/C20H27N3O2/c1-3-7-18-20(16-8-5-4-6-9-16)21-15-23(18)17-10-12-22(13-11-17)14-19(24)25-2/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3
InChIKeyWVVRLBKUPJMIAM-UHFFFAOYSA-N
XLogP3.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate (CID 50973066) is methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate is CCCc1c(-c2ccccc2)ncn1C1CCN(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate?
The InChIKey is WVVRLBKUPJMIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-7-18-20(16-8-5-4-6-9-16)21-15-23(18)17-10-12-22(13-11-17)14-19(24)25-2/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3.
What are the key properties of methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate?
methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate has a molecular weight of 341.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-phenyl-5-propylimidazol-1-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 50973066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).