4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid

C19H25N3O4 — CID 56898257

IUPAC4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
SMILESCOCc1cc(CN2CCC(C(=O)O)(n3ccnc3)CC2)ccc1OC
InChIInChI=1S/C19H25N3O4/c1-25-13-16-11-15(3-4-17(16)26-2)12-21-8-5-19(6-9-21,18(23)24)22-10-7-20-14-22/h3-4,7,10-11,14H,5-6,8-9,12-13H2,1-2H3,(H,23,24)
InChIKeyLPHNECLUOVMCGH-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.11
Rot. Bonds7

About 4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid

4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid (PubChem CID 56898257) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
PubChem CID56898257
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
SMILESCOCc1cc(CN2CCC(C(=O)O)(n3ccnc3)CC2)ccc1OC
InChIInChI=1S/C19H25N3O4/c1-25-13-16-11-15(3-4-17(16)26-2)12-21-8-5-19(6-9-21,18(23)24)22-10-7-20-14-22/h3-4,7,10-11,14H,5-6,8-9,12-13H2,1-2H3,(H,23,24)
InChIKeyLPHNECLUOVMCGH-UHFFFAOYSA-N
XLogP2.11
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509
1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489
1-[(3,5-dimethoxyphenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155877437
(3S,4S)-4-benzyl-3-hydroxy-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 155918422
4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871591
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 155875558
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypiperidine-4-carboxylic acid
CID 56896082
2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126443309
(3R,4S)-4-hydroxy-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxylic acid
CID 163304896
4-imidazol-1-yl-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
CID 70712775
2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine
CID 77097117
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid (CID 56898257) is 4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid is COCc1cc(CN2CCC(C(=O)O)(n3ccnc3)CC2)ccc1OC.
What is the InChIKey of 4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid?
The InChIKey is LPHNECLUOVMCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-25-13-16-11-15(3-4-17(16)26-2)12-21-8-5-19(6-9-21,18(23)24)22-10-7-20-14-22/h3-4,7,10-11,14H,5-6,8-9,12-13H2,1-2H3,(H,23,24).
What are the key properties of 4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid?
4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56898257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).