[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone

C19H25N3O2 — CID 90493290

IUPAC[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCCc1nccn1CC1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C19H25N3O2/c1-3-18-20-10-13-22(18)14-15-8-11-21(12-9-15)19(23)16-6-4-5-7-17(16)24-2/h4-7,10,13,15H,3,8-9,11-12,14H2,1-2H3
InChIKeyYBXNPOYCISVIBM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.01
Rot. Bonds5

About [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone

[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 90493290) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID90493290
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCCc1nccn1CC1CCN(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C19H25N3O2/c1-3-18-20-10-13-22(18)14-15-8-11-21(12-9-15)19(23)16-6-4-5-7-17(16)24-2/h4-7,10,13,15H,3,8-9,11-12,14H2,1-2H3
InChIKeyYBXNPOYCISVIBM-UHFFFAOYSA-N
XLogP3.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492757
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 90492768
N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494087
(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492756
(2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
CID 71800834
(2-ethylimidazol-1-yl)-(2-methoxyphenyl)methanone
CID 110463081
(E)-3-(3,4-dimethoxyphenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 90492770
[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493255
(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736037
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90492782
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone (CID 90493290) is [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone is CCc1nccn1CC1CCN(C(=O)c2ccccc2OC)CC1.
What is the InChIKey of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is YBXNPOYCISVIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-18-20-10-13-22(18)14-15-8-11-21(12-9-15)19(23)16-6-4-5-7-17(16)24-2/h4-7,10,13,15H,3,8-9,11-12,14H2,1-2H3.
What are the key properties of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone?
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 90493290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).