2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid

C16H22N2O3 — CID 61190378

IUPAC2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCCc1ccccc1NC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-12-7-3-4-9-14(12)17-16(21)18-10-6-5-8-13(18)11-15(19)20/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyIKGYEHUOJCDOHF-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.11
Rot. Bonds4

About 2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61190378) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61190378
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCCc1ccccc1NC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-12-7-3-4-9-14(12)17-16(21)18-10-6-5-8-13(18)11-15(19)20/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyIKGYEHUOJCDOHF-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide
CID 111116843
2-[1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61191042
N-(2-ethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857732
2-ethyl-N-(2-ethylphenyl)piperidine-1-carbothioamide
CID 19654708
2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61182627
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503165
(2R)-2-ethyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 51944426
2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 79760864
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid (CID 61190378) is 2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid is CCc1ccccc1NC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is IKGYEHUOJCDOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-7-3-4-9-14(12)17-16(21)18-10-6-5-8-13(18)11-15(19)20/h3-4,7,9,13H,2,5-6,8,10-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61190378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).