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

C18H24N4O3S — CID 45190460

IUPACN-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide
SMILESCc1ccc(CNC(=O)CCC2CCCN(C(=O)c3snnc3C)C2)o1
InChIInChI=1S/C18H24N4O3S/c1-12-5-7-15(25-12)10-19-16(23)8-6-14-4-3-9-22(11-14)18(24)17-13(2)20-21-26-17/h5,7,14H,3-4,6,8-11H2,1-2H3,(H,19,23)
InChIKeyIEVVWUQKADAQLG-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.70
Rot. Bonds6

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

N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide (PubChem CID 45190460) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide
PubChem CID45190460
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide
SMILESCc1ccc(CNC(=O)CCC2CCCN(C(=O)c3snnc3C)C2)o1
InChIInChI=1S/C18H24N4O3S/c1-12-5-7-15(25-12)10-19-16(23)8-6-14-4-3-9-22(11-14)18(24)17-13(2)20-21-26-17/h5,7,14H,3-4,6,8-11H2,1-2H3,(H,19,23)
InChIKeyIEVVWUQKADAQLG-UHFFFAOYSA-N
XLogP2.70
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45211127
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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]propanamide
CID 72939380
(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 25380199
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 25310805
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42310649
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-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide
CID 45240334
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618
[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70722943
N-[(5-methylfuran-2-yl)methyl]-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 45205021

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide (CID 45190460) is N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide is Cc1ccc(CNC(=O)CCC2CCCN(C(=O)c3snnc3C)C2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is IEVVWUQKADAQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-12-5-7-15(25-12)10-19-16(23)8-6-14-4-3-9-22(11-14)18(24)17-13(2)20-21-26-17/h5,7,14H,3-4,6,8-11H2,1-2H3,(H,19,23).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide?
N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 376.48 g/mol, XLogP of 2.70, 6 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-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45190460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).