N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

C22H24N4O2S — CID 24791688

IUPACN-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
SMILESCSc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1
InChIInChI=1S/C22H24N4O2S/c1-29-22-23-12-16(13-24-22)14-26-10-2-4-18(15-26)21(27)25-19-8-6-17(7-9-19)20-5-3-11-28-20/h3,5-9,11-13,18H,2,4,10,14-15H2,1H3,(H,25,27)
InChIKeyNALLEZXLFGHVOL-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.31
Rot. Bonds6

About N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 24791688) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
PubChem CID24791688
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
SMILESCSc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1
InChIInChI=1S/C22H24N4O2S/c1-29-22-23-12-16(13-24-22)14-26-10-2-4-18(15-26)21(27)25-19-8-6-17(7-9-19)20-5-3-11-28-20/h3,5-9,11-13,18H,2,4,10,14-15H2,1H3,(H,25,27)
InChIKeyNALLEZXLFGHVOL-UHFFFAOYSA-N
XLogP4.31
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-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-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (CID 24791688) is N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is CSc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1.
What is the InChIKey of N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NALLEZXLFGHVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-29-22-23-12-16(13-24-22)14-26-10-2-4-18(15-26)21(27)25-19-8-6-17(7-9-19)20-5-3-11-28-20/h3,5-9,11-13,18H,2,4,10,14-15H2,1H3,(H,25,27).
What are the key properties of N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24791688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).