3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one

C22H33N3O3 — CID 3417317

IUPAC3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC1COC(=O)N1C1CCN(C(=O)Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C22H33N3O3/c1-16(2)13-20-15-28-22(27)25(20)19-9-11-24(12-10-19)21(26)14-17-5-7-18(8-6-17)23(3)4/h5-8,16,19-20H,9-15H2,1-4H3
InChIKeySCOFCYOSVGQODQ-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.15
Rot. Bonds6

About 3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one

3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 3417317) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID3417317
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC1COC(=O)N1C1CCN(C(=O)Cc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C22H33N3O3/c1-16(2)13-20-15-28-22(27)25(20)19-9-11-24(12-10-19)21(26)14-17-5-7-18(8-6-17)23(3)4/h5-8,16,19-20H,9-15H2,1-4H3
InChIKeySCOFCYOSVGQODQ-UHFFFAOYSA-N
XLogP3.15
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylpropyl)-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3708594
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 3526299
3-[3-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 3523328
N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 3445891
4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4686292
1,3-dimethyl-7-[2-[4-[(4R)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]purine-2,6-dione
CID 23854569
4-(2-methylpropyl)-3-[1-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3591664
(4R)-3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 23909948
N-(1-adamantyl)-4-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 74228286
2-(4-aminophenyl)-1-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 119900175
4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3671179
1-[(2R)-2-cyclopropylmorpholin-4-yl]-2-[4-(dimethylamino)phenyl]ethanone
CID 99970788

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 3417317) is 3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)CC1COC(=O)N1C1CCN(C(=O)Cc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is SCOFCYOSVGQODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16(2)13-20-15-28-22(27)25(20)19-9-11-24(12-10-19)21(26)14-17-5-7-18(8-6-17)23(3)4/h5-8,16,19-20H,9-15H2,1-4H3.
What are the key properties of 3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 387.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3417317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).