2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid

C16H22N2O3 — CID 65345636

IUPAC2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCCC1CCCN(C(=O)Nc2cccc(CC(=O)O)c2)C1
InChIInChI=1S/C16H22N2O3/c1-2-12-6-4-8-18(11-12)16(21)17-14-7-3-5-13(9-14)10-15(19)20/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyLZFHZZZQQFUWGR-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.97
Rot. Bonds4

About 2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid

2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 65345636) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
PubChem CID65345636
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCCC1CCCN(C(=O)Nc2cccc(CC(=O)O)c2)C1
InChIInChI=1S/C16H22N2O3/c1-2-12-6-4-8-18(11-12)16(21)17-14-7-3-5-13(9-14)10-15(19)20/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyLZFHZZZQQFUWGR-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345639
2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid (CID 65345636) is 2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid is CCC1CCCN(C(=O)Nc2cccc(CC(=O)O)c2)C1.
What is the InChIKey of 2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is LZFHZZZQQFUWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-6-4-8-18(11-12)16(21)17-14-7-3-5-13(9-14)10-15(19)20/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65345636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).