N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide

C20H26N4O3S — CID 45209342

IUPACN-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide
SMILESCc1ccc(CNC(=O)CCC2CCCN(C(=O)CSc3ncccn3)C2)o1
InChIInChI=1S/C20H26N4O3S/c1-15-5-7-17(27-15)12-23-18(25)8-6-16-4-2-11-24(13-16)19(26)14-28-20-21-9-3-10-22-20/h3,5,7,9-10,16H,2,4,6,8,11-14H2,1H3,(H,23,25)
InChIKeyRJADHOPRIDZHFN-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.81
Rot. Bonds8

About N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide

N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide (PubChem CID 45209342) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide
PubChem CID45209342
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide
SMILESCc1ccc(CNC(=O)CCC2CCCN(C(=O)CSc3ncccn3)C2)o1
InChIInChI=1S/C20H26N4O3S/c1-15-5-7-17(27-15)12-23-18(25)8-6-16-4-2-11-24(13-16)19(26)14-28-20-21-9-3-10-22-20/h3,5,7,9-10,16H,2,4,6,8,11-14H2,1H3,(H,23,25)
InChIKeyRJADHOPRIDZHFN-UHFFFAOYSA-N
XLogP2.81
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 45205021
N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide
CID 45240334
N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide
CID 45190460
N-[(5-methylfuran-2-yl)methyl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45211127
3-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 29182648
N-[(5-methylfuran-2-yl)methyl]-3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]propanamide
CID 72939380
3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 45214233
3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 42565210
3-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 29029161
1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone
CID 115277216
N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide
CID 25306946
2-pyrimidin-2-ylsulfanyl-1-[4-(2-pyrimidin-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
CID 1239284

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide (CID 45209342) is N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide is Cc1ccc(CNC(=O)CCC2CCCN(C(=O)CSc3ncccn3)C2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide?
The InChIKey is RJADHOPRIDZHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-15-5-7-17(27-15)12-23-18(25)8-6-16-4-2-11-24(13-16)19(26)14-28-20-21-9-3-10-22-20/h3,5,7,9-10,16H,2,4,6,8,11-14H2,1H3,(H,23,25).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide?
N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide has a molecular weight of 402.52 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45209342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).