N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C18H28N2O3 — CID 3242067

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCCN1C(C)CCCC1C
InChIInChI=1S/C18H28N2O3/c1-12-11-16(21)23-15(4)17(12)18(22)19-9-6-10-20-13(2)7-5-8-14(20)3/h11,13-14H,5-10H2,1-4H3,(H,19,22)
InChIKeyWEPIVOPLCUGIQA-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.64
Rot. Bonds5

About N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 3242067) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID3242067
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCCCN1C(C)CCCC1C
InChIInChI=1S/C18H28N2O3/c1-12-11-16(21)23-15(4)17(12)18(22)19-9-6-10-20-13(2)7-5-8-14(20)3/h11,13-14H,5-10H2,1-4H3,(H,19,22)
InChIKeyWEPIVOPLCUGIQA-UHFFFAOYSA-N
XLogP2.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 3242067) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCCCN1C(C)CCCC1C.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is WEPIVOPLCUGIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12-11-16(21)23-15(4)17(12)18(22)19-9-6-10-20-13(2)7-5-8-14(20)3/h11,13-14H,5-10H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 3242067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).