1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one

C26H35N3O2 — CID 53494973

IUPAC1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one
SMILESCCCC1(c2ccccc2)CC(=O)N(C[C@@H](O)CN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C26H35N3O2/c1-2-13-26(22-9-5-3-6-10-22)18-25(31)29(21-26)20-24(30)19-27-14-16-28(17-15-27)23-11-7-4-8-12-23/h3-12,24,30H,2,13-21H2,1H3/t24-,26?/m0/s1
InChIKeyWATSRBMNEFHESH-QSAPEBAKSA-N
MW421.59 g/mol
LogP3.14
Rot. Bonds8

About 1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one

1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one (PubChem CID 53494973) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one
PubChem CID53494973
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one
SMILESCCCC1(c2ccccc2)CC(=O)N(C[C@@H](O)CN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C26H35N3O2/c1-2-13-26(22-9-5-3-6-10-22)18-25(31)29(21-26)20-24(30)19-27-14-16-28(17-15-27)23-11-7-4-8-12-23/h3-12,24,30H,2,13-21H2,1H3/t24-,26?/m0/s1
InChIKeyWATSRBMNEFHESH-QSAPEBAKSA-N
XLogP3.14
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-phenyl-3-propylpyrrolidin-2-one
CID 75170383
1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione
CID 57401516
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 7060493
1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]decan-2-ol
CID 57186486
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione
CID 10251011
1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
CID 2769805
1-[2-(nitrosomethyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 57309013
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
4-[4-[(2S)-2,3-dihydroxypropyl]piperazin-1-yl]benzoic acid
CID 138039616

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one (CID 53494973) is 1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one is CCCC1(c2ccccc2)CC(=O)N(C[C@@H](O)CN2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one?
The InChIKey is WATSRBMNEFHESH-QSAPEBAKSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-2-13-26(22-9-5-3-6-10-22)18-25(31)29(21-26)20-24(30)19-27-14-16-28(17-15-27)23-11-7-4-8-12-23/h3-12,24,30H,2,13-21H2,1H3/t24-,26?/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one?
1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one has a molecular weight of 421.59 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one is sourced from PubChem (CID 53494973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).