1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione

C16H20ClNO3 — CID 11823033

IUPAC1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N([C@H](C)CCOc2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C16H20ClNO3/c1-11-9-15(19)18(16(20)10-11)12(2)7-8-21-14-5-3-13(17)4-6-14/h3-6,11-12H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyVXXSTPZFOMOQLS-GFCCVEGCSA-N
MW309.79 g/mol
LogP3.28
Rot. Bonds5

About 1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione

1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione (PubChem CID 11823033) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione
PubChem CID11823033
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N([C@H](C)CCOc2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C16H20ClNO3/c1-11-9-15(19)18(16(20)10-11)12(2)7-8-21-14-5-3-13(17)4-6-14/h3-6,11-12H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyVXXSTPZFOMOQLS-GFCCVEGCSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 98280034
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
1-[2-(4-bromophenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63101038
(3aR,7aR)-2-[2-(4-chlorophenoxy)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 126383749
ethyl 2-[3-(aminomethyl)azetidin-1-yl]-4-(4-chlorophenoxy)butanoate
CID 137380571
2-[3-(4-chlorophenoxy)propyl]propanedioic acid
CID 131842659
1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine
CID 63872390
4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one
CID 168686871
5-[2-(4-chlorophenoxy)ethyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 71671010
(2S)-5-[2-(4-chlorophenoxy)ethyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 92736534
2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile
CID 79497204
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione (CID 11823033) is 1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N([C@H](C)CCOc2ccc(Cl)cc2)C(=O)C1.
What is the InChIKey of 1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione?
The InChIKey is VXXSTPZFOMOQLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-11-9-15(19)18(16(20)10-11)12(2)7-8-21-14-5-3-13(17)4-6-14/h3-6,11-12H,7-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione?
1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione has a molecular weight of 309.79 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 11823033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).