1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one

C21H26N4O — CID 74239581

IUPAC1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCc1cccc(-c2ncc(CN3CCCC(N4CCCC4=O)C3)cn2)c1
InChIInChI=1S/C21H26N4O/c1-16-5-2-6-18(11-16)21-22-12-17(13-23-21)14-24-9-3-7-19(15-24)25-10-4-8-20(25)26/h2,5-6,11-13,19H,3-4,7-10,14-15H2,1H3
InChIKeyJACHLJIZMYTRHP-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.04
Rot. Bonds4

About 1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one

1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 74239581) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID74239581
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCc1cccc(-c2ncc(CN3CCCC(N4CCCC4=O)C3)cn2)c1
InChIInChI=1S/C21H26N4O/c1-16-5-2-6-18(11-16)21-22-12-17(13-23-21)14-24-9-3-7-19(15-24)25-10-4-8-20(25)26/h2,5-6,11-13,19H,3-4,7-10,14-15H2,1H3
InChIKeyJACHLJIZMYTRHP-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine
CID 77090077
5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-(3-methylphenyl)pyrimidine
CID 99939084
[4-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56915918
3-methyl-7-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 47000558
7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95551835
(4R)-2-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 96572853
(6R,11S)-11-hydroxy-8-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163311348
2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine
CID 95810588
1-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]pyrrolidin-2-one
CID 56861158
N-[3-(3-methylphenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 45253222
3,4-dihydro-2H-quinolin-1-yl-[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 43930099
4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]morpholine
CID 172905640

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one (CID 74239581) is 1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one is Cc1cccc(-c2ncc(CN3CCCC(N4CCCC4=O)C3)cn2)c1.
What is the InChIKey of 1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is JACHLJIZMYTRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-5-2-6-18(11-16)21-22-12-17(13-23-21)14-24-9-3-7-19(15-24)25-10-4-8-20(25)26/h2,5-6,11-13,19H,3-4,7-10,14-15H2,1H3.
What are the key properties of 1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one?
1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 350.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 74239581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).