2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid

C16H22N2O3 — CID 65350521

IUPAC2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
SMILESCCC1(C(=O)Nc2cccc(CC(=O)O)c2)CCNCC1
InChIInChI=1S/C16H22N2O3/c1-2-16(6-8-17-9-7-16)15(21)18-13-5-3-4-12(10-13)11-14(19)20/h3-5,10,17H,2,6-9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyAALPKMOLBAAQCK-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.03
Rot. Bonds5

About 2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid

2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 65350521) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
PubChem CID65350521
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
SMILESCCC1(C(=O)Nc2cccc(CC(=O)O)c2)CCNCC1
InChIInChI=1S/C16H22N2O3/c1-2-16(6-8-17-9-7-16)15(21)18-13-5-3-4-12(10-13)11-14(19)20/h3-5,10,17H,2,6-9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyAALPKMOLBAAQCK-UHFFFAOYSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 106980832
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
4-ethyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 63127778
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630241
3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63139750
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid (CID 65350521) is 2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid is CCC1(C(=O)Nc2cccc(CC(=O)O)c2)CCNCC1.
What is the InChIKey of 2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is AALPKMOLBAAQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-16(6-8-17-9-7-16)15(21)18-13-5-3-4-12(10-13)11-14(19)20/h3-5,10,17H,2,6-9,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid?
2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65350521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).