4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one

C30H35N3O2 — CID 155689995

IUPAC4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCNC(=O)C2)cc1
InChIInChI=1S/C30H35N3O2/c1-24(25-13-15-28(35-2)16-14-25)33(22-21-32-20-18-31-30(34)23-32)19-17-29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-17,24H,18-23H2,1-2H3,(H,31,34)/t24-/m1/s1
InChIKeyGHKGKUVOCHUWFZ-XMMPIXPASA-N
MW469.63 g/mol
LogP4.62
Rot. Bonds10

About 4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one

4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one (PubChem CID 155689995) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one
PubChem CID155689995
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC Name4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCNC(=O)C2)cc1
InChIInChI=1S/C30H35N3O2/c1-24(25-13-15-28(35-2)16-14-25)33(22-21-32-20-18-31-30(34)23-32)19-17-29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-17,24H,18-23H2,1-2H3,(H,31,34)/t24-/m1/s1
InChIKeyGHKGKUVOCHUWFZ-XMMPIXPASA-N
XLogP4.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one?
The IUPAC name of 4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one (CID 155689995) is 4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one?
The canonical SMILES for 4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one is COc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCN2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one?
The InChIKey is GHKGKUVOCHUWFZ-XMMPIXPASA-N. The full InChI is InChI=1S/C30H35N3O2/c1-24(25-13-15-28(35-2)16-14-25)33(22-21-32-20-18-31-30(34)23-32)19-17-29(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-17,24H,18-23H2,1-2H3,(H,31,34)/t24-/m1/s1.
What are the key properties of 4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one?
4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one has a molecular weight of 469.63 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]piperazin-2-one is sourced from PubChem (CID 155689995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).