ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid

C18H24N2O2 — CID 143093965

IUPACethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid
SMILESC=C.C=CC1CCN(C(=C)Nc2ccccc2C(=O)O)CC1
InChIInChI=1S/C16H20N2O2.C2H4/c1-3-13-8-10-18(11-9-13)12(2)17-15-7-5-4-6-14(15)16(19)20;1-2/h3-7,13,17H,1-2,8-11H2,(H,19,20);1-2H2
InChIKeyKBJKTVZBTZVVEA-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.97
Rot. Bonds5

About ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid

ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid (PubChem CID 143093965) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid.

Molecular Properties

Compound Nameethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid
PubChem CID143093965
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Nameethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid
SMILESC=C.C=CC1CCN(C(=C)Nc2ccccc2C(=O)O)CC1
InChIInChI=1S/C16H20N2O2.C2H4/c1-3-13-8-10-18(11-9-13)12(2)17-15-7-5-4-6-14(15)16(19)20;1-2/h3-7,13,17H,1-2,8-11H2,(H,19,20);1-2H2
InChIKeyKBJKTVZBTZVVEA-UHFFFAOYSA-N
XLogP3.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-[bis(prop-2-enyl)carbamoylamino]benzoic acid
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2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
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2-(prop-2-enylcarbamothioylamino)benzoic acid
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CID 170843062
CID 170843062
2-(2-prop-2-enylsulfanylethylcarbamoylamino)benzoic acid
CID 106430402
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119323399
2-(dicyclopropylmethylcarbamoylamino)benzoic acid
CID 61480864
2-[[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]amino]benzoic acid
CID 25138295
2-[(4-cyclopropylbenzoyl)amino]benzoic acid
CID 126822246

Frequently Asked Questions

What is the IUPAC name of ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid?
The IUPAC name of ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid (CID 143093965) is ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid.
What is the SMILES notation for ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid?
The canonical SMILES for ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid is C=C.C=CC1CCN(C(=C)Nc2ccccc2C(=O)O)CC1.
What is the InChIKey of ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid?
The InChIKey is KBJKTVZBTZVVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.C2H4/c1-3-13-8-10-18(11-9-13)12(2)17-15-7-5-4-6-14(15)16(19)20;1-2/h3-7,13,17H,1-2,8-11H2,(H,19,20);1-2H2.
What are the key properties of ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid?
ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid has a molecular weight of 300.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid is sourced from PubChem (CID 143093965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).