3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one

C16H18Cl2N2O2 — CID 74539659

IUPAC3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(N2CCCC(Cl)(Cl)C2=O)cc1
InChIInChI=1S/C16H18Cl2N2O2/c17-16(18)9-3-11-20(15(16)22)13-7-5-12(6-8-13)19-10-2-1-4-14(19)21/h5-8H,1-4,9-11H2
InChIKeyHSUUUSVMDGEUTE-UHFFFAOYSA-N
MW341.24 g/mol
LogP3.50
Rot. Bonds2

About 3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one

3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one (PubChem CID 74539659) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one
PubChem CID74539659
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(N2CCCC(Cl)(Cl)C2=O)cc1
InChIInChI=1S/C16H18Cl2N2O2/c17-16(18)9-3-11-20(15(16)22)13-7-5-12(6-8-13)19-10-2-1-4-14(19)21/h5-8H,1-4,9-11H2
InChIKeyHSUUUSVMDGEUTE-UHFFFAOYSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one
CID 134094956
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-(4-aminophenyl)azepan-2-one
CID 58962781
3,3-dichloro-1-(3-iodophenyl)piperidin-2-one
CID 171523182
1-[4-(trifluoromethyl)phenyl]azepan-2-one
CID 154102957
1-(4-ethenylphenyl)azepan-2-one
CID 155576688
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-(4-ethynylphenyl)pyrrolidin-2-one
CID 134367557
1-(4-nitrophenyl)azepan-2-one
CID 58962770
1-[4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)phenyl]pyrrolidin-2-one
CID 138546650

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one?
The IUPAC name of 3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one (CID 74539659) is 3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one.
What is the SMILES notation for 3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one?
The canonical SMILES for 3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one is O=C1CCCCN1c1ccc(N2CCCC(Cl)(Cl)C2=O)cc1.
What is the InChIKey of 3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one?
The InChIKey is HSUUUSVMDGEUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c17-16(18)9-3-11-20(15(16)22)13-7-5-12(6-8-13)19-10-2-1-4-14(19)21/h5-8H,1-4,9-11H2.
What are the key properties of 3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one?
3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one has a molecular weight of 341.24 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-1-[4-(2-oxopiperidin-1-yl)phenyl]piperidin-2-one is sourced from PubChem (CID 74539659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).