(3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid

C24H29NO2 — CID 53325278

IUPAC(3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
SMILESCCc1ccccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15-/t21-/m1/s1
InChIKeyCFKUCOUIOSATKL-FYYJVHHASA-N
MW363.50 g/mol
LogP4.87
Rot. Bonds7

About (3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid

(3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid (PubChem CID 53325278) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
PubChem CID53325278
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
SMILESCCc1ccccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15-/t21-/m1/s1
InChIKeyCFKUCOUIOSATKL-FYYJVHHASA-N
XLogP4.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid (CID 53325278) is (3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid is CCc1ccccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of (3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
The InChIKey is CFKUCOUIOSATKL-FYYJVHHASA-N. The full InChI is InChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15-/t21-/m1/s1.
What are the key properties of (3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
(3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid has a molecular weight of 363.50 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 53325278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).