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

C22H29N3O4 — CID 134799805

IUPAC3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1ccccc1C(=O)N1CCCC(C(=O)N2CCC(N3CCOC3=O)CC2)C1
InChIInChI=1S/C22H29N3O4/c1-16-5-2-3-7-19(16)21(27)24-10-4-6-17(15-24)20(26)23-11-8-18(9-12-23)25-13-14-29-22(25)28/h2-3,5,7,17-18H,4,6,8-15H2,1H3
InChIKeyBNKFEKSLTJTURQ-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.29
Rot. Bonds3

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

3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 134799805) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID134799805
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCc1ccccc1C(=O)N1CCCC(C(=O)N2CCC(N3CCOC3=O)CC2)C1
InChIInChI=1S/C22H29N3O4/c1-16-5-2-3-7-19(16)21(27)24-10-4-6-17(15-24)20(26)23-11-8-18(9-12-23)25-13-14-29-22(25)28/h2-3,5,7,17-18H,4,6,8-15H2,1H3
InChIKeyBNKFEKSLTJTURQ-UHFFFAOYSA-N
XLogP2.29
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.29
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-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 134799805) is 3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is Cc1ccccc1C(=O)N1CCCC(C(=O)N2CCC(N3CCOC3=O)CC2)C1.
What is the InChIKey of 3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is BNKFEKSLTJTURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-16-5-2-3-7-19(16)21(27)24-10-4-6-17(15-24)20(26)23-11-8-18(9-12-23)25-13-14-29-22(25)28/h2-3,5,7,17-18H,4,6,8-15H2,1H3.
What are the key properties of 3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 399.49 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2-methylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134799805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).