1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid

C20H30N2O3 — CID 82260370

IUPAC1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
SMILESCCC(CC)C(=O)Nc1ccc(CCN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-3-16(4-2)19(23)21-18-7-5-15(6-8-18)9-12-22-13-10-17(11-14-22)20(24)25/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyVXBRIXMZEXLHDQ-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.40
Rot. Bonds8

About 1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid

1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid (PubChem CID 82260370) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
PubChem CID82260370
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
SMILESCCC(CC)C(=O)Nc1ccc(CCN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-3-16(4-2)19(23)21-18-7-5-15(6-8-18)9-12-22-13-10-17(11-14-22)20(24)25/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyVXBRIXMZEXLHDQ-UHFFFAOYSA-N
XLogP3.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
CID 82260369
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
2,2-diphenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575227
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 120798942
N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886959
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
4-[4-(2-thiomorpholin-4-ylethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029744
2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide
CID 119862104
2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide
CID 112981413
N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-2-methoxyacetamide
CID 71989273
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid (CID 82260370) is 1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid is CCC(CC)C(=O)Nc1ccc(CCN2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid?
The InChIKey is VXBRIXMZEXLHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-16(4-2)19(23)21-18-7-5-15(6-8-18)9-12-22-13-10-17(11-14-22)20(24)25/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid?
1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid has a molecular weight of 346.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82260370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).