1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one

C26H34N4O2 — CID 11953047

IUPAC1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCOC1(c2ccc(N3CCC(Cc4ncccc4N4CCN(C)CC4)C3=O)cc2)CCC1
InChIInChI=1S/C26H34N4O2/c1-28-15-17-29(18-16-28)24-5-3-13-27-23(24)19-20-10-14-30(25(20)31)22-8-6-21(7-9-22)26(32-2)11-4-12-26/h3,5-9,13,20H,4,10-12,14-19H2,1-2H3
InChIKeyLNSPNSKNSREPFE-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.45
Rot. Bonds6

About 1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one

1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 11953047) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID11953047
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCOC1(c2ccc(N3CCC(Cc4ncccc4N4CCN(C)CC4)C3=O)cc2)CCC1
InChIInChI=1S/C26H34N4O2/c1-28-15-17-29(18-16-28)24-5-3-13-27-23(24)19-20-10-14-30(25(20)31)22-8-6-21(7-9-22)26(32-2)11-4-12-26/h3,5-9,13,20H,4,10-12,14-19H2,1-2H3
InChIKeyLNSPNSKNSREPFE-UHFFFAOYSA-N
XLogP3.45
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-1-[4-(1,3-oxazol-4-yl)phenyl]piperidin-2-one
CID 11952869
(3S)-1-[4-(2-tert-butyl-1,3-oxazol-4-yl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]piperidin-2-one
CID 11952774
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
tert-butyl 4-[2-[[1-[4-(oxan-4-yl)phenyl]-2-oxopiperidin-3-yl]methyl]-3-pyridinyl]piperazine-1-carboxylate
CID 11953092
1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 11590165
1-[4-(2-hydroxypropan-2-yl)phenyl]-3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidin-2-one
CID 11611550
3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
CID 11561682
(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 59782576
1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 123434168
(3R)-1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 123360822
(3R)-1-[6-[(2S)-2,3-dihydroxypentan-3-yl]-3-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 71090874

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one (CID 11953047) is 1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one is COC1(c2ccc(N3CCC(Cc4ncccc4N4CCN(C)CC4)C3=O)cc2)CCC1.
What is the InChIKey of 1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is LNSPNSKNSREPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-28-15-17-29(18-16-28)24-5-3-13-27-23(24)19-20-10-14-30(25(20)31)22-8-6-21(7-9-22)26(32-2)11-4-12-26/h3,5-9,13,20H,4,10-12,14-19H2,1-2H3.
What are the key properties of 1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one?
1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 434.58 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 11953047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).