2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one

C22H27N3O — CID 134546049

IUPAC2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one
SMILESNC(Cc1ccccc1)C(=O)c1ccccc1/C=C/CN1CCNCC1
InChIInChI=1S/C22H27N3O/c23-21(17-18-7-2-1-3-8-18)22(26)20-11-5-4-9-19(20)10-6-14-25-15-12-24-13-16-25/h1-11,21,24H,12-17,23H2/b10-6+
InChIKeyDNFIWACCWDYGBC-UXBLZVDNSA-N
MW349.48 g/mol
LogP2.36
Rot. Bonds7

About 2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one

2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one (PubChem CID 134546049) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one
PubChem CID134546049
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one
SMILESNC(Cc1ccccc1)C(=O)c1ccccc1/C=C/CN1CCNCC1
InChIInChI=1S/C22H27N3O/c23-21(17-18-7-2-1-3-8-18)22(26)20-11-5-4-9-19(20)10-6-14-25-15-12-24-13-16-25/h1-11,21,24H,12-17,23H2/b10-6+
InChIKeyDNFIWACCWDYGBC-UXBLZVDNSA-N
XLogP2.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol
CID 14070346
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520
piperidin-4-yl (2R)-2-amino-3-phenylpropanoate
CID 173188794
3-phenyl-1-piperazin-1-yl-2-sulfanylpropan-1-one
CID 82511771
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
1-(3-phenylprop-2-enyl)imidazolidine
CID 161124295
(2S)-3-phenyl-2-(piperazin-1-ylamino)propanoic acid
CID 69080253
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one?
The IUPAC name of 2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one (CID 134546049) is 2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one.
What is the SMILES notation for 2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one?
The canonical SMILES for 2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one is NC(Cc1ccccc1)C(=O)c1ccccc1/C=C/CN1CCNCC1.
What is the InChIKey of 2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one?
The InChIKey is DNFIWACCWDYGBC-UXBLZVDNSA-N. The full InChI is InChI=1S/C22H27N3O/c23-21(17-18-7-2-1-3-8-18)22(26)20-11-5-4-9-19(20)10-6-14-25-15-12-24-13-16-25/h1-11,21,24H,12-17,23H2/b10-6+.
What are the key properties of 2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one?
2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one has a molecular weight of 349.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-[2-[(E)-3-piperazin-1-ylprop-1-enyl]phenyl]propan-1-one is sourced from PubChem (CID 134546049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).