2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone

C18H22ClN3O2 — CID 70708837

IUPAC2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone
SMILESCCn1ccnc1C1CCN(C(=O)C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN3O2/c1-2-21-12-9-20-17(21)14-7-10-22(11-8-14)18(24)16(23)13-3-5-15(19)6-4-13/h3-6,9,12,14,16,23H,2,7-8,10-11H2,1H3
InChIKeyVFBKEVPTGSGRMG-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.00
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone

2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone (PubChem CID 70708837) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone
PubChem CID70708837
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone
SMILESCCn1ccnc1C1CCN(C(=O)C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN3O2/c1-2-21-12-9-20-17(21)14-7-10-22(11-8-14)18(24)16(23)13-3-5-15(19)6-4-13/h3-6,9,12,14,16,23H,2,7-8,10-11H2,1H3
InChIKeyVFBKEVPTGSGRMG-UHFFFAOYSA-N
XLogP3.00
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone (CID 70708837) is 2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone is CCn1ccnc1C1CCN(C(=O)C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is VFBKEVPTGSGRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-2-21-12-9-20-17(21)14-7-10-22(11-8-14)18(24)16(23)13-3-5-15(19)6-4-13/h3-6,9,12,14,16,23H,2,7-8,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone?
2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 347.85 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 70708837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).