(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid

C15H20N2O3 — CID 59546398

IUPAC(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCCC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-2-16(12-8-4-3-5-9-12)15(20)17-11-7-6-10-13(17)14(18)19/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyGVZKCQIKJXZGPJ-ZDUSSCGKSA-N
MW276.34 g/mol
LogP2.57
Rot. Bonds3

About (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid

(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 59546398) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID59546398
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCCC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-2-16(12-8-4-3-5-9-12)15(20)17-11-7-6-10-13(17)14(18)19/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyGVZKCQIKJXZGPJ-ZDUSSCGKSA-N
XLogP2.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate
CID 59546408
(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 28510403
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185364
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 107737239
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
1-[methyl-(2-methylphenyl)carbamoyl]azepane-2-carboxylic acid
CID 64562150
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90268843

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid (CID 59546398) is (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid is CCN(C(=O)N1CCCC[C@H]1C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is GVZKCQIKJXZGPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-16(12-8-4-3-5-9-12)15(20)17-11-7-6-10-13(17)14(18)19/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid?
(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 59546398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).