N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C18H24N4O2S — CID 53102204

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCCSCc3ccco3)CC2)n1
InChIInChI=1S/C18H24N4O2S/c1-14-4-7-20-18(21-14)22-9-5-15(6-10-22)17(23)19-8-12-25-13-16-3-2-11-24-16/h2-4,7,11,15H,5-6,8-10,12-13H2,1H3,(H,19,23)
InChIKeyVSUYFNZEVPGGKL-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.64
Rot. Bonds7

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53102204) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53102204
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCCSCc3ccco3)CC2)n1
InChIInChI=1S/C18H24N4O2S/c1-14-4-7-20-18(21-14)22-9-5-15(6-10-22)17(23)19-8-12-25-13-16-3-2-11-24-16/h2-4,7,11,15H,5-6,8-10,12-13H2,1H3,(H,19,23)
InChIKeyVSUYFNZEVPGGKL-UHFFFAOYSA-N
XLogP2.64
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-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-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53102204) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)NCCSCc3ccco3)CC2)n1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is VSUYFNZEVPGGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-14-4-7-20-18(21-14)22-9-5-15(6-10-22)17(23)19-8-12-25-13-16-3-2-11-24-16/h2-4,7,11,15H,5-6,8-10,12-13H2,1H3,(H,19,23).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53102204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).