6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile

C18H17ClN2O2 — CID 164665659

IUPAC6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
SMILESCc1c(-c2cccc(Cl)c2)oc(=O)c(C#N)c1N1CCCCC1
InChIInChI=1S/C18H17ClN2O2/c1-12-16(21-8-3-2-4-9-21)15(11-20)18(22)23-17(12)13-6-5-7-14(19)10-13/h5-7,10H,2-4,8-9H2,1H3
InChIKeyRTLYIFBCXSFNJX-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.13
Rot. Bonds2

About 6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile

6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile (PubChem CID 164665659) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
PubChem CID164665659
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
SMILESCc1c(-c2cccc(Cl)c2)oc(=O)c(C#N)c1N1CCCCC1
InChIInChI=1S/C18H17ClN2O2/c1-12-16(21-8-3-2-4-9-21)15(11-20)18(22)23-17(12)13-6-5-7-14(19)10-13/h5-7,10H,2-4,8-9H2,1H3
InChIKeyRTLYIFBCXSFNJX-UHFFFAOYSA-N
XLogP4.13
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
The IUPAC name of 6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile (CID 164665659) is 6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile.
What is the SMILES notation for 6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
The canonical SMILES for 6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile is Cc1c(-c2cccc(Cl)c2)oc(=O)c(C#N)c1N1CCCCC1.
What is the InChIKey of 6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
The InChIKey is RTLYIFBCXSFNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12-16(21-8-3-2-4-9-21)15(11-20)18(22)23-17(12)13-6-5-7-14(19)10-13/h5-7,10H,2-4,8-9H2,1H3.
What are the key properties of 6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile?
6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile has a molecular weight of 328.80 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-methyl-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile is sourced from PubChem (CID 164665659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).