1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C19H23F3N4O6 — CID 139014191

IUPAC1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)N2CCC(N3CC(C(=O)O)CC3=O)CC2)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O4.C2HF3O2/c1-11-8-13(2-5-18-11)19-17(25)20-6-3-14(4-7-20)21-10-12(16(23)24)9-15(21)22;3-2(4,5)1(6)7/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3,(H,23,24)(H,18,19,25);(H,6,7)
InChIKeyPQLASKNJFQZERA-UHFFFAOYSA-N
MW460.41 g/mol
LogP1.95
Rot. Bonds3

About 1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid

1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 139014191) has the molecular formula C19H23F3N4O6 and a molecular weight of 460.41 g/mol. Its IUPAC name is 1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID139014191
Molecular FormulaC19H23F3N4O6
Molecular Weight460.41 g/mol
Exact Mass460.16
IUPAC Name1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)N2CCC(N3CC(C(=O)O)CC3=O)CC2)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O4.C2HF3O2/c1-11-8-13(2-5-18-11)19-17(25)20-6-3-14(4-7-20)21-10-12(16(23)24)9-15(21)22;3-2(4,5)1(6)7/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3,(H,23,24)(H,18,19,25);(H,6,7)
InChIKeyPQLASKNJFQZERA-UHFFFAOYSA-N
XLogP1.95
TPSA140.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128701518
5-oxo-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 168691287
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015
1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 138055984
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154888279
N,N,4,5-tetramethyl-6-[(3R)-3-[(2-methyl-4-pyridinyl)amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 146102435
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185240
5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 126899644
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide
CID 129477791
3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 119219560

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 139014191) is 1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid is Cc1cc(NC(=O)N2CCC(N3CC(C(=O)O)CC3=O)CC2)ccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is PQLASKNJFQZERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4.C2HF3O2/c1-11-8-13(2-5-18-11)19-17(25)20-6-3-14(4-7-20)21-10-12(16(23)24)9-15(21)22;3-2(4,5)1(6)7/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3,(H,23,24)(H,18,19,25);(H,6,7).
What are the key properties of 1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 460.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 139014191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).