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

C16H22N2O3 — CID 61185364

IUPAC1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCCN(Cc1ccccc1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-17(12-13-8-4-3-5-9-13)16(21)18-11-7-6-10-14(18)15(19)20/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,19,20)
InChIKeyQWGCMTNSLVZUSO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.57
Rot. Bonds4

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

1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 61185364) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID61185364
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCCN(Cc1ccccc1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-17(12-13-8-4-3-5-9-13)16(21)18-11-7-6-10-14(18)15(19)20/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,19,20)
InChIKeyQWGCMTNSLVZUSO-UHFFFAOYSA-N
XLogP2.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[ethyl(pyridin-4-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61449819
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
1-[benzyl(propan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186053
(2S)-1-[(2-carboxy-4-phenylbutyl)-ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54561817
1-[2-[benzyl-[benzyl-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]carbamoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 22717230
(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108947324
1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 55228473
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61200560
1-[(3-chlorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61416937

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid (CID 61185364) is 1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid is CCN(Cc1ccccc1)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is QWGCMTNSLVZUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-17(12-13-8-4-3-5-9-13)16(21)18-11-7-6-10-14(18)15(19)20/h3-5,8-9,14H,2,6-7,10-12H2,1H3,(H,19,20).
What are the key properties of 1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid?
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61185364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).