N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide

C22H29FN2O2 — CID 24791021

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCN(CCc3ccc(F)cc3)C2)c(C)o1
InChIInChI=1S/C22H29FN2O2/c1-16-13-21(17(2)27-16)22(26)24(3)14-19-5-4-11-25(15-19)12-10-18-6-8-20(23)9-7-18/h6-9,13,19H,4-5,10-12,14-15H2,1-3H3
InChIKeyFTWTVHXTNSSLRC-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.06
Rot. Bonds6

About N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide (PubChem CID 24791021) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide
PubChem CID24791021
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCN(CCc3ccc(F)cc3)C2)c(C)o1
InChIInChI=1S/C22H29FN2O2/c1-16-13-21(17(2)27-16)22(26)24(3)14-19-5-4-11-25(15-19)12-10-18-6-8-20(23)9-7-18/h6-9,13,19H,4-5,10-12,14-15H2,1-3H3
InChIKeyFTWTVHXTNSSLRC-UHFFFAOYSA-N
XLogP4.06
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide (CID 24791021) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)CC2CCCN(CCc3ccc(F)cc3)C2)c(C)o1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide?
The InChIKey is FTWTVHXTNSSLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-16-13-21(17(2)27-16)22(26)24(3)14-19-5-4-11-25(15-19)12-10-18-6-8-20(23)9-7-18/h6-9,13,19H,4-5,10-12,14-15H2,1-3H3.
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide has a molecular weight of 372.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 24791021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).