[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone

C17H21N3O2 — CID 10661883

IUPAC[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(OCCc2cnc[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C17H21N3O2/c21-17(20-9-2-1-3-10-20)14-4-6-16(7-5-14)22-11-8-15-12-18-13-19-15/h4-7,12-13H,1-3,8-11H2,(H,18,19)
InChIKeyWNLVJNBEBFWIMF-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.66
Rot. Bonds5

About [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone

[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone (PubChem CID 10661883) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone
PubChem CID10661883
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(OCCc2cnc[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C17H21N3O2/c21-17(20-9-2-1-3-10-20)14-4-6-16(7-5-14)22-11-8-15-12-18-13-19-15/h4-7,12-13H,1-3,8-11H2,(H,18,19)
InChIKeyWNLVJNBEBFWIMF-UHFFFAOYSA-N
XLogP2.66
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ciproxifan
CID 6422124
(4-(3-(1H-Imidazol-4-yl)propyloxy)phenyl)ethanone
CID 11776588
Ciproxifan maleate
CID 16219152
(4-(3-(1H-imidazol-5-yl)propoxy)phenyl)(cyclopropyl)methanone maleate
CID 46700835
N-(5-(1H-imidazol-2-yl)-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 25253556
Hedgehog IN-2
CID 67374621
N-[5-(1H-imidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 67379186
N-[2-methyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68780878
N-[2-methyl-5-(4-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70690618
(Z)-but-2-enedioic acid;1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethanone
CID 44351969
(Z)-but-2-enedioic acid;1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]propan-1-one
CID 44352012
(Z)-but-2-enedioic acid;cyclobutyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone
CID 44352049

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone (CID 10661883) is [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(OCCc2cnc[nH]2)cc1)N1CCCCC1.
What is the InChIKey of [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone?
The InChIKey is WNLVJNBEBFWIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(20-9-2-1-3-10-20)14-4-6-16(7-5-14)22-11-8-15-12-18-13-19-15/h4-7,12-13H,1-3,8-11H2,(H,18,19).
What are the key properties of [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone?
[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone has a molecular weight of 299.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 10661883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).