N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C19H22N2O3S — CID 18149413

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1csc2c1CCCC2
InChIInChI=1S/C19H22N2O3S/c22-18(15-12-25-17-6-2-1-4-14(15)17)20-13-7-9-21(10-8-13)19(23)16-5-3-11-24-16/h3,5,11-13H,1-2,4,6-10H2,(H,20,22)
InChIKeyYXYVQCLTQDRMDD-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.25
Rot. Bonds3

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 18149413) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID18149413
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1csc2c1CCCC2
InChIInChI=1S/C19H22N2O3S/c22-18(15-12-25-17-6-2-1-4-14(15)17)20-13-7-9-21(10-8-13)19(23)16-5-3-11-24-16/h3,5,11-13H,1-2,4,6-10H2,(H,20,22)
InChIKeyYXYVQCLTQDRMDD-UHFFFAOYSA-N
XLogP3.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide
CID 51324355
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 39999740
N-[1-(furan-2-carbonyl)piperidin-4-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 134000227
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
CID 134000252
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide
CID 46585539
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dinitrobenzamide
CID 134000280
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 78836748
N-[1-(furan-2-carbonyl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 167859792

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 18149413) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(NC1CCN(C(=O)c2ccco2)CC1)c1csc2c1CCCC2.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is YXYVQCLTQDRMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-18(15-12-25-17-6-2-1-4-14(15)17)20-13-7-9-21(10-8-13)19(23)16-5-3-11-24-16/h3,5,11-13H,1-2,4,6-10H2,(H,20,22).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 18149413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).