3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C22H28ClN3O4 — CID 134798250

IUPAC3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCCC(C(=O)N2CCC(N3CCOC3=O)CC2)C1
InChIInChI=1S/C22H28ClN3O4/c23-18-5-1-3-16(13-18)14-20(27)25-8-2-4-17(15-25)21(28)24-9-6-19(7-10-24)26-11-12-30-22(26)29/h1,3,5,13,17,19H,2,4,6-12,14-15H2
InChIKeyCFSYRAUDSOXGQS-UHFFFAOYSA-N
MW433.94 g/mol
LogP2.56
Rot. Bonds4

About 3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 134798250) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is 3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID134798250
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCCC(C(=O)N2CCC(N3CCOC3=O)CC2)C1
InChIInChI=1S/C22H28ClN3O4/c23-18-5-1-3-16(13-18)14-20(27)25-8-2-4-17(15-25)21(28)24-9-6-19(7-10-24)26-11-12-30-22(26)29/h1,3,5,13,17,19H,2,4,6-12,14-15H2
InChIKeyCFSYRAUDSOXGQS-UHFFFAOYSA-N
XLogP2.56
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 134798250) is 3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(Cc1cccc(Cl)c1)N1CCCC(C(=O)N2CCC(N3CCOC3=O)CC2)C1.
What is the InChIKey of 3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is CFSYRAUDSOXGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O4/c23-18-5-1-3-16(13-18)14-20(27)25-8-2-4-17(15-25)21(28)24-9-6-19(7-10-24)26-11-12-30-22(26)29/h1,3,5,13,17,19H,2,4,6-12,14-15H2.
What are the key properties of 3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 433.94 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[2-(3-chlorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134798250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).