1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one

C29H33N3O2 — CID 70100445

IUPAC1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one
SMILESCOc1ccc(N2CC(CCCc3ccccc3)(c3ccc(N4CCNCC4)cc3)C2=O)cc1
InChIInChI=1S/C29H33N3O2/c1-34-27-15-13-26(14-16-27)32-22-29(28(32)33,17-5-8-23-6-3-2-4-7-23)24-9-11-25(12-10-24)31-20-18-30-19-21-31/h2-4,6-7,9-16,30H,5,8,17-22H2,1H3
InChIKeyKPHRJHQGVZDASA-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.41
Rot. Bonds8

About 1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one

1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one (PubChem CID 70100445) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one
PubChem CID70100445
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one
SMILESCOc1ccc(N2CC(CCCc3ccccc3)(c3ccc(N4CCNCC4)cc3)C2=O)cc1
InChIInChI=1S/C29H33N3O2/c1-34-27-15-13-26(14-16-27)32-22-29(28(32)33,17-5-8-23-6-3-2-4-7-23)24-9-11-25(12-10-24)31-20-18-30-19-21-31/h2-4,6-7,9-16,30H,5,8,17-22H2,1H3
InChIKeyKPHRJHQGVZDASA-UHFFFAOYSA-N
XLogP4.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-1-(4-methoxyphenyl)-3-(3-phenylpropyl)-4-(4-piperazin-1-ylphenyl)azetidin-2-one
CID 54087118
(3S)-3-ethyl-1-(4-methoxyphenyl)-3-phenylpyrrolidin-2-one
CID 155071229
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10644055
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 11661663
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
2-[[1-(4-methoxyphenyl)piperidin-4-yl]-(3-phenylpropyl)amino]acetic acid
CID 110161331
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
6-methoxy-N-(3-phenylpropyl)-2-piperazin-1-ylquinazolin-4-amine
CID 44532421
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylamino)propan-1-one
CID 109024278
2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane
CID 172672745
1-(4-phenoxyphenyl)piperazine
CID 3017356

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one (CID 70100445) is 1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one is COc1ccc(N2CC(CCCc3ccccc3)(c3ccc(N4CCNCC4)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one?
The InChIKey is KPHRJHQGVZDASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-34-27-15-13-26(14-16-27)32-22-29(28(32)33,17-5-8-23-6-3-2-4-7-23)24-9-11-25(12-10-24)31-20-18-30-19-21-31/h2-4,6-7,9-16,30H,5,8,17-22H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one?
1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one has a molecular weight of 455.60 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3-phenylpropyl)-3-(4-piperazin-1-ylphenyl)azetidin-2-one is sourced from PubChem (CID 70100445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).