1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid

C15H27N3O3 — CID 114430249

IUPAC1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NC2CCCCC2N)C(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-2-10-7-8-18(13(9-10)14(19)20)15(21)17-12-6-4-3-5-11(12)16/h10-13H,2-9,16H2,1H3,(H,17,21)(H,19,20)
InChIKeyFSHXFEAEKDJDAU-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.54
Rot. Bonds3

About 1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid

1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114430249) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
PubChem CID114430249
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NC2CCCCC2N)C(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-2-10-7-8-18(13(9-10)14(19)20)15(21)17-12-6-4-3-5-11(12)16/h10-13H,2-9,16H2,1H3,(H,17,21)(H,19,20)
InChIKeyFSHXFEAEKDJDAU-UHFFFAOYSA-N
XLogP1.54
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[(2-methoxycyclopentyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430343
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
4-ethyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
1-[(2-ethylcyclohexyl)carbamoyl]azepane-2-carboxylic acid
CID 64562536
1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 106346727
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430208
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430556
1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071406
4-ethyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114430229
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid (CID 114430249) is 1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)NC2CCCCC2N)C(C(=O)O)C1.
What is the InChIKey of 1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is FSHXFEAEKDJDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-10-7-8-18(13(9-10)14(19)20)15(21)17-12-6-4-3-5-11(12)16/h10-13H,2-9,16H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid?
1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114430249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).