(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid

C21H21NO3 — CID 92659285

IUPAC(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)/C(=C\c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H21NO3/c23-20(22-13-7-12-18(15-22)21(24)25)19(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-6,8-11,14,18H,7,12-13,15H2,(H,24,25)/b19-14-/t18-/m1/s1
InChIKeyQYLWHVNLKOVGPF-GXYBQNOFSA-N
MW335.40 g/mol
LogP3.55
Rot. Bonds4

About (3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid

(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid (PubChem CID 92659285) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid
PubChem CID92659285
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)/C(=C\c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H21NO3/c23-20(22-13-7-12-18(15-22)21(24)25)19(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-6,8-11,14,18H,7,12-13,15H2,(H,24,25)/b19-14-/t18-/m1/s1
InChIKeyQYLWHVNLKOVGPF-GXYBQNOFSA-N
XLogP3.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208524
1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 2938637
(Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one
CID 2186177
1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid
CID 86782489
1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one
CID 2939984
(3S)-1-(2-phenacylsulfanylacetyl)piperidine-3-carboxylic acid
CID 119174108
(Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6372372
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6378625
3-phenyl-2-piperidin-1-ylprop-2-enoic acid
CID 141448411
(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one
CID 6294212
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid (CID 92659285) is (3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)/C(=C\c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid?
The InChIKey is QYLWHVNLKOVGPF-GXYBQNOFSA-N. The full InChI is InChI=1S/C21H21NO3/c23-20(22-13-7-12-18(15-22)21(24)25)19(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-6,8-11,14,18H,7,12-13,15H2,(H,24,25)/b19-14-/t18-/m1/s1.
What are the key properties of (3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid?
(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 92659285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).