1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid

C15H20N2O3 — CID 43318507

IUPAC1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCN(C(=O)N1CCCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-2-17(13-8-4-3-5-9-13)15(20)16-10-6-7-12(11-16)14(18)19/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,18,19)
InChIKeyULHOUEXGSAUBFB-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.43
Rot. Bonds3

About 1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid

1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 43318507) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID43318507
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCN(C(=O)N1CCCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-2-17(13-8-4-3-5-9-13)15(20)16-10-6-7-12(11-16)14(18)19/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,18,19)
InChIKeyULHOUEXGSAUBFB-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
(3S)-1-[ethyl-(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119032
(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-ethyl-N-phenyl-1-(2-phenylethyl)piperidine-3-carboxamide;1-methoxycarbonylpiperidine-3-carboxylic acid;methyl 3-[ethyl(phenyl)carbamoyl]piperidine-1-carboxylate
CID 160836176
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
N-ethyl-1-(furan-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43054894
1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 107736891
N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide
CID 87037742
N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 116655222
1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 61416776

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid (CID 43318507) is 1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid is CCN(C(=O)N1CCCC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is ULHOUEXGSAUBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-17(13-8-4-3-5-9-13)15(20)16-10-6-7-12(11-16)14(18)19/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,18,19).
What are the key properties of 1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid?
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43318507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).