3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid

C16H27N3O3 — CID 72870974

IUPAC3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(CCCn2ccnc2C)C1
InChIInChI=1S/C16H27N3O3/c1-14-17-7-11-19(14)10-4-9-18-8-3-5-16(13-18,15(20)21)6-12-22-2/h7,11H,3-6,8-10,12-13H2,1-2H3,(H,20,21)
InChIKeyHUYDVCPDHDOKBL-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.78
Rot. Bonds8

About 3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid

3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid (PubChem CID 72870974) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid
PubChem CID72870974
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(CCCn2ccnc2C)C1
InChIInChI=1S/C16H27N3O3/c1-14-17-7-11-19(14)10-4-9-18-8-3-5-16(13-18,15(20)21)6-12-22-2/h7,11H,3-6,8-10,12-13H2,1-2H3,(H,20,21)
InChIKeyHUYDVCPDHDOKBL-UHFFFAOYSA-N
XLogP1.78
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-(2-methoxyethyl)-4-piperidinecarboxylate
CID 42096266
ethyl 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-(2-methoxyethyl)-3-piperidinecarboxylate
CID 45243309
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-propylpiperidine-4-carboxylic acid
CID 63126953
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137285
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137483
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141165
5-Imidazol-1-yl-2,2-dimethylpentanoic acid
CID 65255102
1-(2-Imidazol-1-ylethyl)piperidine-3-carboxylic acid
CID 43440672
1-[(1-Methylimidazol-2-yl)methyl]piperidine-3-carboxylic acid
CID 43440686
Ethyl 1-(1-methylimidazol-2-yl)piperidine-3-carboxylate
CID 55039295
3-[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 55049654
1-[(1-Ethylimidazol-2-yl)methyl]piperidine-3-carboxylic acid
CID 55109380

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid (CID 72870974) is 3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid is COCCC1(C(=O)O)CCCN(CCCn2ccnc2C)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid?
The InChIKey is HUYDVCPDHDOKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-14-17-7-11-19(14)10-4-9-18-8-3-5-16(13-18,15(20)21)6-12-22-2/h7,11H,3-6,8-10,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid?
3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid has a molecular weight of 309.41 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 72870974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).