1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid

C15H26N2O3 — CID 64562121

IUPAC1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
SMILESCCC1(C(=O)N2CCCCCC2C(=O)O)CCNCC1
InChIInChI=1S/C15H26N2O3/c1-2-15(7-9-16-10-8-15)14(20)17-11-5-3-4-6-12(17)13(18)19/h12,16H,2-11H2,1H3,(H,18,19)
InChIKeyHAENGULXECXBMF-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds3

About 1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid

1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid (PubChem CID 64562121) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
PubChem CID64562121
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
SMILESCCC1(C(=O)N2CCCCCC2C(=O)O)CCNCC1
InChIInChI=1S/C15H26N2O3/c1-2-15(7-9-16-10-8-15)14(20)17-11-5-3-4-6-12(17)13(18)19/h12,16H,2-11H2,1H3,(H,18,19)
InChIKeyHAENGULXECXBMF-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64564458
methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128448
3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 63129046
4-(4-ethylpiperidine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904016
1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 83072399
1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 83071672
(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034861
1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 106975316
1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
The IUPAC name of 1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid (CID 64562121) is 1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid is CCC1(C(=O)N2CCCCCC2C(=O)O)CCNCC1.
What is the InChIKey of 1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
The InChIKey is HAENGULXECXBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-15(7-9-16-10-8-15)14(20)17-11-5-3-4-6-12(17)13(18)19/h12,16H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid?
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid is sourced from PubChem (CID 64562121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).