1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid

C18H23N3O3 — CID 56889081

IUPAC1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESCCOc1ccccc1CN1CCC(C(=O)O)(n2ccnc2)CC1
InChIInChI=1S/C18H23N3O3/c1-2-24-16-6-4-3-5-15(16)13-20-10-7-18(8-11-20,17(22)23)21-12-9-19-14-21/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3,(H,22,23)
InChIKeyCCUTVXXEGAATJU-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.36
Rot. Bonds6

About 1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid

1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56889081) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56889081
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
SMILESCCOc1ccccc1CN1CCC(C(=O)O)(n2ccnc2)CC1
InChIInChI=1S/C18H23N3O3/c1-2-24-16-6-4-3-5-15(16)13-20-10-7-18(8-11-20,17(22)23)21-12-9-19-14-21/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3,(H,22,23)
InChIKeyCCUTVXXEGAATJU-UHFFFAOYSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 56898257
1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107408415
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid
CID 171695756
1-[4-[9-[(2-ethoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]phenyl]ethanone
CID 11235882
1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489
1-[(8-fluoroquinolin-2-yl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56901729
(2-chloro-4-pyridinyl)-[9-[(2-ethoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 11281781
9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70745249
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid
CID 155871130
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110360001

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid (CID 56889081) is 1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid is CCOc1ccccc1CN1CCC(C(=O)O)(n2ccnc2)CC1.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is CCUTVXXEGAATJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-24-16-6-4-3-5-15(16)13-20-10-7-18(8-11-20,17(22)23)21-12-9-19-14-21/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3,(H,22,23).
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid?
1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56889081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).