1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid

C24H34N4O4 — CID 139836818

IUPAC1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCC2CCC3C2OC(=O)N3C2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C24H34N4O4/c29-23(30)18-6-13-26(14-7-18)12-5-17-1-2-21-22(17)32-24(31)28(21)20-8-15-27(16-9-20)19-3-10-25-11-4-19/h3-4,10-11,17-18,20-22H,1-2,5-9,12-16H2,(H,29,30)
InChIKeyKQMXYIRNFYYHJG-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid

1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid (PubChem CID 139836818) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid
PubChem CID139836818
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCC2CCC3C2OC(=O)N3C2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C24H34N4O4/c29-23(30)18-6-13-26(14-7-18)12-5-17-1-2-21-22(17)32-24(31)28(21)20-8-15-27(16-9-20)19-3-10-25-11-4-19/h3-4,10-11,17-18,20-22H,1-2,5-9,12-16H2,(H,29,30)
InChIKeyKQMXYIRNFYYHJG-UHFFFAOYSA-N
XLogP2.84
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[3-[1-[2-(cyclohexylamino)pyrimidin-4-yl]piperidin-4-yl]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-7-yl]piperidine-4-carboxylic acid
CID 70062395
[1-[[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] hydrogen carbonate
CID 67622512
[1-[2-acetylimino-3-(1-pyridin-4-ylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-7-yl]piperidin-4-yl] hydrogen carbonate
CID 57117079
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882153
1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine
CID 143388333
1-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-4-ylpiperazine;hydrochloride
CID 68753959
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
N-butan-2-yl-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384683
tert-butyl 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]piperidine-1-carboxylate
CID 15947415
N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384657
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid (CID 139836818) is 1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CCC2CCC3C2OC(=O)N3C2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of 1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid?
The InChIKey is KQMXYIRNFYYHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c29-23(30)18-6-13-26(14-7-18)12-5-17-1-2-21-22(17)32-24(31)28(21)20-8-15-27(16-9-20)19-3-10-25-11-4-19/h3-4,10-11,17-18,20-22H,1-2,5-9,12-16H2,(H,29,30).
What are the key properties of 1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid?
1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid has a molecular weight of 442.56 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-6-yl]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 139836818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).