1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one

C26H34N2O2 — CID 123434168

IUPAC1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
SMILESCOC(C)(C)c1ccc(N2CCC(Cc3ccccc3N3CCCCC3)C2=O)cc1
InChIInChI=1S/C26H34N2O2/c1-26(2,30-3)22-11-13-23(14-12-22)28-18-15-21(25(28)29)19-20-9-5-6-10-24(20)27-16-7-4-8-17-27/h5-6,9-14,21H,4,7-8,15-19H2,1-3H3
InChIKeyPMHITSJWPSJJGD-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.15
Rot. Bonds6

About 1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one

1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one (PubChem CID 123434168) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
PubChem CID123434168
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
SMILESCOC(C)(C)c1ccc(N2CCC(Cc3ccccc3N3CCCCC3)C2=O)cc1
InChIInChI=1S/C26H34N2O2/c1-26(2,30-3)22-11-13-23(14-12-22)28-18-15-21(25(28)29)19-20-9-5-6-10-24(20)27-16-7-4-8-17-27/h5-6,9-14,21H,4,7-8,15-19H2,1-3H3
InChIKeyPMHITSJWPSJJGD-UHFFFAOYSA-N
XLogP5.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 123360822
(3S)-1-[4-(2-methoxypropan-2-yl)phenyl]-3-[[2-(4-methylsulfanylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 143260616
3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 22343561
(3S)-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one;yttrium
CID 59782591
(3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium
CID 59782565
(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 59782576
(3R)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 161187086
(2R)-4-(4-tert-butylphenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]morpholin-3-one
CID 15984336
(3R)-1-[6-[(2S)-2,3-dihydroxypentan-3-yl]-3-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 71090874
1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one
CID 11597590
3-[[2-(2,6-dimethylpiperazin-1-yl)phenyl]methyl]-1-[4-(1-hydroxycyclopentyl)phenyl]pyrrolidin-2-one
CID 11626520
1-[4-(2-hydroxypropan-2-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
CID 11611550

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one (CID 123434168) is 1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one is COC(C)(C)c1ccc(N2CCC(Cc3ccccc3N3CCCCC3)C2=O)cc1.
What is the InChIKey of 1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is PMHITSJWPSJJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-26(2,30-3)22-11-13-23(14-12-22)28-18-15-21(25(28)29)19-20-9-5-6-10-24(20)27-16-7-4-8-17-27/h5-6,9-14,21H,4,7-8,15-19H2,1-3H3.
What are the key properties of 1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one?
1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 406.57 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 123434168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).