3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one

C23H31N3O4 — CID 3861438

IUPAC3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C23H31N3O4/c1-2-19-16-30-23(29)26(19)20-10-14-25(15-11-20)22(28)18-8-12-24(13-9-18)21(27)17-6-4-3-5-7-17/h3-7,18-20H,2,8-16H2,1H3
InChIKeyDEDGTVDNKXBZED-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.76
Rot. Bonds4

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

3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 3861438) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
PubChem CID3861438
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C23H31N3O4/c1-2-19-16-30-23(29)26(19)20-10-14-25(15-11-20)22(28)18-8-12-24(13-9-18)21(27)17-6-4-3-5-7-17/h3-7,18-20H,2,8-16H2,1H3
InChIKeyDEDGTVDNKXBZED-UHFFFAOYSA-N
XLogP2.76
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-[4-[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]-2-propan-2-ylsulfanylacetamide
CID 3854247
methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate
CID 3384869
(4R)-4-ethyl-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 118303313
4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23993543
3-[1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 74225526
(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42881412
4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4686292
4-benzyl-3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3712584
(4R)-4-benzyl-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23991572
3-[1-(6-bromopyridine-2-carbonyl)piperidin-4-yl]-4-butyl-1,3-oxazolidin-2-one
CID 5158542
4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23939940
ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 3857415

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one (CID 3861438) is 3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one is CCC1COC(=O)N1C1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of 3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is DEDGTVDNKXBZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-2-19-16-30-23(29)26(19)20-10-14-25(15-11-20)22(28)18-8-12-24(13-9-18)21(27)17-6-4-3-5-7-17/h3-7,18-20H,2,8-16H2,1H3.
What are the key properties of 3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one?
3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 413.52 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3861438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).