(Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one

C21H23NO — CID 2186177

IUPAC(Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one
SMILESC[C@H]1CCCCN1C(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO/c1-17-10-8-9-15-22(17)21(23)20(19-13-6-3-7-14-19)16-18-11-4-2-5-12-18/h2-7,11-14,16-17H,8-10,15H2,1H3/b20-16-/t17-/m0/s1
InChIKeyNRVAUQKZTDSAFL-IMGOXIFKSA-N
MW305.42 g/mol
LogP4.63
Rot. Bonds3

About (Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one

(Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one (PubChem CID 2186177) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one
PubChem CID2186177
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one
SMILESC[C@H]1CCCCN1C(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO/c1-17-10-8-9-15-22(17)21(23)20(19-13-6-3-7-14-19)16-18-11-4-2-5-12-18/h2-7,11-14,16-17H,8-10,15H2,1H3/b20-16-/t17-/m0/s1
InChIKeyNRVAUQKZTDSAFL-IMGOXIFKSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6378625
(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
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 8004505
(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid
CID 92659285
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
methyl 1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylate
CID 108754898
1-(2,6-dimethylmorpholin-4-yl)-2,3-diphenylprop-2-en-1-one
CID 2939984
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 2610042
(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162217
(Z)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162218
(Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6372372

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one (CID 2186177) is (Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one is C[C@H]1CCCCN1C(=O)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one?
The InChIKey is NRVAUQKZTDSAFL-IMGOXIFKSA-N. The full InChI is InChI=1S/C21H23NO/c1-17-10-8-9-15-22(17)21(23)20(19-13-6-3-7-14-19)16-18-11-4-2-5-12-18/h2-7,11-14,16-17H,8-10,15H2,1H3/b20-16-/t17-/m0/s1.
What are the key properties of (Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one?
(Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one has a molecular weight of 305.42 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(2S)-2-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 2186177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).