1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid

C15H25N3O2 — CID 66134971

IUPAC1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(Cc2cncn2CC)C1
InChIInChI=1S/C15H25N3O2/c1-3-6-15(14(19)20)7-5-8-17(11-15)10-13-9-16-12-18(13)4-2/h9,12H,3-8,10-11H2,1-2H3,(H,19,20)
InChIKeyRRQWPDGKRNOZMS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.37
Rot. Bonds6

About 1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid

1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 66134971) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID66134971
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(Cc2cncn2CC)C1
InChIInChI=1S/C15H25N3O2/c1-3-6-15(14(19)20)7-5-8-17(11-15)10-13-9-16-12-18(13)4-2/h9,12H,3-8,10-11H2,1-2H3,(H,19,20)
InChIKeyRRQWPDGKRNOZMS-UHFFFAOYSA-N
XLogP2.37
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978686
1-[(5-bromo-3-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 104800382
1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 81318757
1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 83094991
1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141029
1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 65068552
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 97115296
[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 70719084
1-[(3,4-dihydroxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 65068460
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141119
1-[(5-bromothiophen-2-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 55166663

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid (CID 66134971) is 1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(Cc2cncn2CC)C1.
What is the InChIKey of 1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is RRQWPDGKRNOZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-6-15(14(19)20)7-5-8-17(11-15)10-13-9-16-12-18(13)4-2/h9,12H,3-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid?
1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 66134971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).