2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide

C24H31N3O2 — CID 109004517

IUPAC2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-20(2)29-23-13-7-6-12-22(23)25-24(28)19-27-17-15-26(16-18-27)14-8-11-21-9-4-3-5-10-21/h3-13,20H,14-19H2,1-2H3,(H,25,28)/b11-8+
InChIKeySKBUVUFNIPVQCN-DHZHZOJOSA-N
MW393.53 g/mol
LogP3.74
Rot. Bonds8

About 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide

2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 109004517) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID109004517
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-20(2)29-23-13-7-6-12-22(23)25-24(28)19-27-17-15-26(16-18-27)14-8-11-21-9-4-3-5-10-21/h3-13,20H,14-19H2,1-2H3,(H,25,28)/b11-8+
InChIKeySKBUVUFNIPVQCN-DHZHZOJOSA-N
XLogP3.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544886
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 18084912
N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8549272
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24565235
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide
CID 4916839
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544518
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
N-(2-ethylphenyl)-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108950759

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide (CID 109004517) is 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is SKBUVUFNIPVQCN-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-20(2)29-23-13-7-6-12-22(23)25-24(28)19-27-17-15-26(16-18-27)14-8-11-21-9-4-3-5-10-21/h3-13,20H,14-19H2,1-2H3,(H,25,28)/b11-8+.
What are the key properties of 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 109004517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).