N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

C24H31FN2O3 — CID 170505714

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(=O)o1
InChIInChI=1S/C24H31FN2O3/c1-4-5-16(2)21-14-17(3)22(24(29)30-21)23(28)26-20-10-12-27(13-11-20)15-18-6-8-19(25)9-7-18/h6-9,14,16,20H,4-5,10-13,15H2,1-3H3,(H,26,28)
InChIKeyNRBRVDQTEDSSOL-UHFFFAOYSA-N
MW414.52 g/mol
LogP4.39
Rot. Bonds7

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 170505714) has the molecular formula C24H31FN2O3 and a molecular weight of 414.52 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID170505714
Molecular FormulaC24H31FN2O3
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(=O)o1
InChIInChI=1S/C24H31FN2O3/c1-4-5-16(2)21-14-17(3)22(24(29)30-21)23(28)26-20-10-12-27(13-11-20)15-18-6-8-19(25)9-7-18/h6-9,14,16,20H,4-5,10-13,15H2,1-3H3,(H,26,28)
InChIKeyNRBRVDQTEDSSOL-UHFFFAOYSA-N
XLogP4.39
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 170505714) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(=O)o1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is NRBRVDQTEDSSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3/c1-4-5-16(2)21-14-17(3)22(24(29)30-21)23(28)26-20-10-12-27(13-11-20)15-18-6-8-19(25)9-7-18/h6-9,14,16,20H,4-5,10-13,15H2,1-3H3,(H,26,28).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 414.52 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 170505714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).