3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C18H22N2O4 — CID 91815041

IUPAC3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccccc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C18H22N2O4/c1-13-4-2-3-5-14(13)6-7-16(21)19-10-8-15(9-11-19)20-17(22)12-24-18(20)23/h2-5,15H,6-12H2,1H3
InChIKeyPUMVJDGMXVCCFG-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.90
Rot. Bonds4

About 3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 91815041) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID91815041
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1ccccc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C18H22N2O4/c1-13-4-2-3-5-14(13)6-7-16(21)19-10-8-15(9-11-19)20-17(22)12-24-18(20)23/h2-5,15H,6-12H2,1H3
InChIKeyPUMVJDGMXVCCFG-UHFFFAOYSA-N
XLogP1.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156580
3-[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726885
3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 124850656
1-(4-chloro-3-methylpiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114683007
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one;hydrochloride
CID 119520075
3-[(3R)-1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727672
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 82015841
2-fluoro-2-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]acetic acid
CID 166317343
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156485
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114509852
1-[(3aS,8aS)-2-methyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-3-(2-methylphenyl)propan-1-one
CID 124822045

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 91815041) is 3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is Cc1ccccc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1.
What is the InChIKey of 3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is PUMVJDGMXVCCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-4-2-3-5-14(13)6-7-16(21)19-10-8-15(9-11-19)20-17(22)12-24-18(20)23/h2-5,15H,6-12H2,1H3.
What are the key properties of 3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 330.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 91815041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).