2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid

C16H22N2O3 — CID 61422145

IUPAC2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCCC1CCN(C(=O)Nc2ccc(CC(=O)O)cc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-12-7-9-18(10-8-12)16(21)17-14-5-3-13(4-6-14)11-15(19)20/h3-6,12H,2,7-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyHAOKNXZXEDZHKM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.97
Rot. Bonds4

About 2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid

2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 61422145) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
PubChem CID61422145
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCCC1CCN(C(=O)Nc2ccc(CC(=O)O)cc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-12-7-9-18(10-8-12)16(21)17-14-5-3-13(4-6-14)11-15(19)20/h3-6,12H,2,7-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyHAOKNXZXEDZHKM-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-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 61186612
2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61191743
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 63605276
3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340764
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
CID 20907510
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid (CID 61422145) is 2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid is CCC1CCN(C(=O)Nc2ccc(CC(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is HAOKNXZXEDZHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-7-9-18(10-8-12)16(21)17-14-5-3-13(4-6-14)11-15(19)20/h3-6,12H,2,7-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
2-[4-[(4-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-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 61422145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).