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

C14H20N2OS — CID 113436662

IUPACN-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)C1CCCc2sccc21
InChIInChI=1S/C14H20N2OS/c17-14(16-10-3-2-7-15-9-10)12-4-1-5-13-11(12)6-8-18-13/h6,8,10,12,15H,1-5,7,9H2,(H,16,17)/t10-,12?/m1/s1
InChIKeyJXDPDVSVGHLMKL-RWANSRKNSA-N
MW264.39 g/mol
LogP2.04
Rot. Bonds2

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

N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (PubChem CID 113436662) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
PubChem CID113436662
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)C1CCCc2sccc21
InChIInChI=1S/C14H20N2OS/c17-14(16-10-3-2-7-15-9-10)12-4-1-5-13-11(12)6-8-18-13/h6,8,10,12,15H,1-5,7,9H2,(H,16,17)/t10-,12?/m1/s1
InChIKeyJXDPDVSVGHLMKL-RWANSRKNSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 104956627
4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
CID 62841259
N-[2-(hydroxymethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 103820511
N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 106629361
2,2,2-trichloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 13037002
N-(4-chlorobutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 83178226
N-(azepan-3-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211900
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507
N-(5-propyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 115745995
N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 103548549
(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 104645422
2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)prop-2-en-1-one
CID 105113140

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The IUPAC name of N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide (CID 113436662) is N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide.
What is the SMILES notation for N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The canonical SMILES for N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is O=C(N[C@@H]1CCCNC1)C1CCCc2sccc21.
What is the InChIKey of N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
The InChIKey is JXDPDVSVGHLMKL-RWANSRKNSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-14(16-10-3-2-7-15-9-10)12-4-1-5-13-11(12)6-8-18-13/h6,8,10,12,15H,1-5,7,9H2,(H,16,17)/t10-,12?/m1/s1.
What are the key properties of N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide?
N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide is sourced from PubChem (CID 113436662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).