(5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one

C27H33N3O2 — CID 25295167

IUPAC(5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C27H33N3O2/c31-26-14-13-25(22-30(26)17-15-24-10-5-2-6-11-24)27(32)29-20-18-28(19-21-29)16-7-12-23-8-3-1-4-9-23/h1-12,25H,13-22H2/b12-7+/t25-/m0/s1
InChIKeyQXDFCANJMZWUOY-FRHHVXPKSA-N
MW431.58 g/mol
LogP3.33
Rot. Bonds7

About (5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one

(5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one (PubChem CID 25295167) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is (5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one
PubChem CID25295167
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name(5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C27H33N3O2/c31-26-14-13-25(22-30(26)17-15-24-10-5-2-6-11-24)27(32)29-20-18-28(19-21-29)16-7-12-23-8-3-1-4-9-23/h1-12,25H,13-22H2/b12-7+/t25-/m0/s1
InChIKeyQXDFCANJMZWUOY-FRHHVXPKSA-N
XLogP3.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]-1,4-diazepane-1-carbaldehyde
CID 25295339
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861
1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110687297
5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 71705445
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[(3S)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 92647324
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
CID 26334745
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6038045
N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 78810208
5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
CID 45215310
4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 56544561

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one (CID 25295167) is (5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one is O=C1CC[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CN1CCc1ccccc1.
What is the InChIKey of (5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is QXDFCANJMZWUOY-FRHHVXPKSA-N. The full InChI is InChI=1S/C27H33N3O2/c31-26-14-13-25(22-30(26)17-15-24-10-5-2-6-11-24)27(32)29-20-18-28(19-21-29)16-7-12-23-8-3-1-4-9-23/h1-12,25H,13-22H2/b12-7+/t25-/m0/s1.
What are the key properties of (5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one?
(5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 431.58 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2-phenylethyl)-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 25295167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).