N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide

C19H26N4O2S — CID 45205021

IUPACN-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCSc1nccc(N2CCCC(CCC(=O)NCc3ccc(C)o3)C2)n1
InChIInChI=1S/C19H26N4O2S/c1-14-5-7-16(25-14)12-21-18(24)8-6-15-4-3-11-23(13-15)17-9-10-20-19(22-17)26-2/h5,7,9-10,15H,3-4,6,8,11-13H2,1-2H3,(H,21,24)
InChIKeyFPWZOJOCRPGWJZ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.41
Rot. Bonds7

About N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide

N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide (PubChem CID 45205021) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide
PubChem CID45205021
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCSc1nccc(N2CCCC(CCC(=O)NCc3ccc(C)o3)C2)n1
InChIInChI=1S/C19H26N4O2S/c1-14-5-7-16(25-14)12-21-18(24)8-6-15-4-3-11-23(13-15)17-9-10-20-19(22-17)26-2/h5,7,9-10,15H,3-4,6,8,11-13H2,1-2H3,(H,21,24)
InChIKeyFPWZOJOCRPGWJZ-UHFFFAOYSA-N
XLogP3.41
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide
CID 45209342
N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide
CID 45240334
tert-butyl N-[[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]carbamate
CID 71648617
N-[(5-methylfuran-2-yl)methyl]-3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]propanamide
CID 72939380
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-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide
CID 45190460
N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 45248367
N-[(5-methylfuran-2-yl)methyl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45211127
(3S)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 95055741
3-[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 29029161
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

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide (CID 45205021) is N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide is CSc1nccc(N2CCCC(CCC(=O)NCc3ccc(C)o3)C2)n1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The InChIKey is FPWZOJOCRPGWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-5-7-16(25-14)12-21-18(24)8-6-15-4-3-11-23(13-15)17-9-10-20-19(22-17)26-2/h5,7,9-10,15H,3-4,6,8,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide?
N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.41, 7 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-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45205021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).