N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide

C17H24N2O3S — CID 119808174

IUPACN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)C1CCNCC1
InChIInChI=1S/C17H24N2O3S/c1-12(13-4-7-18-8-5-13)10-17(20)19-15-3-2-14-6-9-23(21,22)16(14)11-15/h2-3,11-13,18H,4-10H2,1H3,(H,19,20)
InChIKeyHJPXLBXYGGPLHW-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.98
Rot. Bonds4

About N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide (PubChem CID 119808174) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide
PubChem CID119808174
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)C1CCNCC1
InChIInChI=1S/C17H24N2O3S/c1-12(13-4-7-18-8-5-13)10-17(20)19-15-3-2-14-6-9-23(21,22)16(14)11-15/h2-3,11-13,18H,4-10H2,1H3,(H,19,20)
InChIKeyHJPXLBXYGGPLHW-UHFFFAOYSA-N
XLogP1.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-3-ylbutanamide
CID 119808164
N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide
CID 119668964
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
CID 119700701
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119669006
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide (CID 119808174) is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)C1CCNCC1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide?
The InChIKey is HJPXLBXYGGPLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12(13-4-7-18-8-5-13)10-17(20)19-15-3-2-14-6-9-23(21,22)16(14)11-15/h2-3,11-13,18H,4-10H2,1H3,(H,19,20).
What are the key properties of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide?
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide has a molecular weight of 336.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119808174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).