2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid

C19H24N2O4 — CID 119178799

IUPAC2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(N2CC(C(=O)N3CCC(CC(=O)O)CC3)CC2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-13-2-4-16(5-3-13)21-12-15(11-17(21)22)19(25)20-8-6-14(7-9-20)10-18(23)24/h2-5,14-15H,6-12H2,1H3,(H,23,24)
InChIKeyGTUFSVOQIPPBGH-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.06
Rot. Bonds4

About 2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid

2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid (PubChem CID 119178799) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
PubChem CID119178799
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(N2CC(C(=O)N3CCC(CC(=O)O)CC3)CC2=O)cc1
InChIInChI=1S/C19H24N2O4/c1-13-2-4-16(5-3-13)21-12-15(11-17(21)22)19(25)20-8-6-14(7-9-20)10-18(23)24/h2-5,14-15H,6-12H2,1H3,(H,23,24)
InChIKeyGTUFSVOQIPPBGH-UHFFFAOYSA-N
XLogP2.06
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperidine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 2963137
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 90493122
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 17081750
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110023693
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 119638509
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 9375191
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
(4S)-4-[4-[(2S)-2-ethylpiperidine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 9375187
1-(4-methylphenyl)-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90492909

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid (CID 119178799) is 2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid is Cc1ccc(N2CC(C(=O)N3CCC(CC(=O)O)CC3)CC2=O)cc1.
What is the InChIKey of 2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid?
The InChIKey is GTUFSVOQIPPBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-2-4-16(5-3-13)21-12-15(11-17(21)22)19(25)20-8-6-14(7-9-20)10-18(23)24/h2-5,14-15H,6-12H2,1H3,(H,23,24).
What are the key properties of 2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid?
2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid has a molecular weight of 344.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).