1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one

C26H34N4O2 — CID 11590165

IUPAC1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCN1CCN(c2ccccc2CC2CCN(c3ccc(C4(O)CCCC4)cn3)C2=O)CC1
InChIInChI=1S/C26H34N4O2/c1-28-14-16-29(17-15-28)23-7-3-2-6-20(23)18-21-10-13-30(25(21)31)24-9-8-22(19-27-24)26(32)11-4-5-12-26/h2-3,6-9,19,21,32H,4-5,10-18H2,1H3
InChIKeyCFZPBGZQVUJZGR-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.19
Rot. Bonds5

About 1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one

1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 11590165) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
PubChem CID11590165
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCN1CCN(c2ccccc2CC2CCN(c3ccc(C4(O)CCCC4)cn3)C2=O)CC1
InChIInChI=1S/C26H34N4O2/c1-28-14-16-29(17-15-28)23-7-3-2-6-20(23)18-21-10-13-30(25(21)31)24-9-8-22(19-27-24)26(32)11-4-5-12-26/h2-3,6-9,19,21,32H,4-5,10-18H2,1H3
InChIKeyCFZPBGZQVUJZGR-UHFFFAOYSA-N
XLogP3.19
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(3S)-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one;yttrium
CID 59782591
(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 59782576
3-[[2-(2,6-dimethylpiperazin-1-yl)phenyl]methyl]-1-[4-(1-hydroxycyclopentyl)phenyl]pyrrolidin-2-one
CID 11626520
3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 22343561
(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-[4-(1-methoxycyclobutyl)phenyl]-3-[[3-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 11953047
(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 15984415
(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
1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one
CID 11597590
(3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium
CID 59782565
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one (CID 11590165) is 1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one is CN1CCN(c2ccccc2CC2CCN(c3ccc(C4(O)CCCC4)cn3)C2=O)CC1.
What is the InChIKey of 1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is CFZPBGZQVUJZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-28-14-16-29(17-15-28)23-7-3-2-6-20(23)18-21-10-13-30(25(21)31)24-9-8-22(19-27-24)26(32)11-4-5-12-26/h2-3,6-9,19,21,32H,4-5,10-18H2,1H3.
What are the key properties of 1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one?
1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 434.58 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-hydroxycyclopentyl)-2-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 11590165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).