(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid

C24H29NO3 — CID 54444555

IUPAC(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCCOCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H29NO3/c26-24(27)22-13-7-15-25(19-22)16-8-17-28-18-14-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,14,22H,7-8,13,15-19H2,(H,26,27)/t22-/m1/s1
InChIKeyWQOQDCGWNOHXCG-JOCHJYFZSA-N
MW379.50 g/mol
LogP4.32
Rot. Bonds9

About (3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid

(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid (PubChem CID 54444555) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is (3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid
PubChem CID54444555
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(CCCOCC=C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H29NO3/c26-24(27)22-13-7-15-25(19-22)16-8-17-28-18-14-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,14,22H,7-8,13,15-19H2,(H,26,27)/t22-/m1/s1
InChIKeyWQOQDCGWNOHXCG-JOCHJYFZSA-N
XLogP4.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3,3-bis(4-fluorophenyl)prop-2-enoxy]ethyl]piperidine-3-carboxylic acid
CID 10503147
(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid
CID 10620277
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
1-[(E)-4-(3-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 171377159
ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate
CID 54436757
(3R)-1-[(Z)-4-(2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53321703
(3R)-1-[(Z)-4-(2-fluorophenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53323981
(3R)-1-[(Z)-4-(2,6-dimethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53326406
1-[4-(2-methoxyphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 71337839
(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 11079073
1-[2-[4-(N-phenylanilino)butoxy]ethyl]piperidine-3-carboxylic acid
CID 21266393
(3R)-1-[2-[(E)-2-(2-methylphenyl)-2-phenylethenoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261661

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid (CID 54444555) is (3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(CCCOCC=C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid?
The InChIKey is WQOQDCGWNOHXCG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29NO3/c26-24(27)22-13-7-15-25(19-22)16-8-17-28-18-14-23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,14,22H,7-8,13,15-19H2,(H,26,27)/t22-/m1/s1.
What are the key properties of (3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid?
(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid has a molecular weight of 379.50 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 54444555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).