N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide

C16H20N2O2S — CID 25450902

IUPACN-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2ccsc2)C1)c1ccco1
InChIInChI=1S/C16H20N2O2S/c19-16(15-4-2-7-20-15)17-9-13-3-1-6-18(10-13)11-14-5-8-21-12-14/h2,4-5,7-8,12-13H,1,3,6,9-11H2,(H,17,19)/t13-/m1/s1
InChIKeyFFSVSTJJXVQUNU-CYBMUJFWSA-N
MW304.41 g/mol
LogP2.98
Rot. Bonds5

About N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide

N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 25450902) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID25450902
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2ccsc2)C1)c1ccco1
InChIInChI=1S/C16H20N2O2S/c19-16(15-4-2-7-20-15)17-9-13-3-1-6-18(10-13)11-14-5-8-21-12-14/h2,4-5,7-8,12-13H,1,3,6,9-11H2,(H,17,19)/t13-/m1/s1
InChIKeyFFSVSTJJXVQUNU-CYBMUJFWSA-N
XLogP2.98
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
CID 124780598
N-[[(3R,3aS,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]furan-2-carboxamide
CID 125244694
N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 166256117
N-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 45199299
N-[[(3S)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 26329221
N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282357
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131898411
N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 155944636
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 77092347
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42195132

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide (CID 25450902) is N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide is O=C(NC[C@H]1CCCN(Cc2ccsc2)C1)c1ccco1.
What is the InChIKey of N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is FFSVSTJJXVQUNU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-16(15-4-2-7-20-15)17-9-13-3-1-6-18(10-13)11-14-5-8-21-12-14/h2,4-5,7-8,12-13H,1,3,6,9-11H2,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide?
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 25450902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).