1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid

C19H22ClNO4 — CID 4290710

IUPAC1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
SMILESCCOc1ccc(Cl)cc1C(c1ccco1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C19H22ClNO4/c1-2-24-16-8-7-14(20)11-15(16)18(17-6-4-10-25-17)21-9-3-5-13(12-21)19(22)23/h4,6-8,10-11,13,18H,2-3,5,9,12H2,1H3,(H,22,23)
InChIKeyGQTAJTUFAWCAJY-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.22
Rot. Bonds6

About 1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid

1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 4290710) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
PubChem CID4290710
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
SMILESCCOc1ccc(Cl)cc1C(c1ccco1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C19H22ClNO4/c1-2-24-16-8-7-14(20)11-15(16)18(17-6-4-10-25-17)21-9-3-5-13(12-21)19(22)23/h4,6-8,10-11,13,18H,2-3,5,9,12H2,1H3,(H,22,23)
InChIKeyGQTAJTUFAWCAJY-UHFFFAOYSA-N
XLogP4.22
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2-ethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3561006
1-[(5-chloro-2-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5023172
1-[(2-fluorophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid
CID 5225573
1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid
CID 3691753
1-[(5-chloro-2-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3955631
1-[(3-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4676977
1-[(5-chloro-2-ethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5021326
1-[(5-chloro-2-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-3-carboxylic acid
CID 3936362
1-[(4-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3946598
1-[(5-chloro-2-ethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid
CID 3266859
1-[(5-bromo-2-ethoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 3535376
1-[(2-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 3253155

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid (CID 4290710) is 1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid is CCOc1ccc(Cl)cc1C(c1ccco1)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is GQTAJTUFAWCAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-2-24-16-8-7-14(20)11-15(16)18(17-6-4-10-25-17)21-9-3-5-13(12-21)19(22)23/h4,6-8,10-11,13,18H,2-3,5,9,12H2,1H3,(H,22,23).
What are the key properties of 1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid?
1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 363.84 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-ethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 4290710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).