1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide

C14H19N3OS — CID 79221431

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1CC1CSc2ccccc21
InChIInChI=1S/C14H19N3OS/c15-14(18)12-7-16-5-6-17(12)8-10-9-19-13-4-2-1-3-11(10)13/h1-4,10,12,16H,5-9H2,(H2,15,18)
InChIKeyIDKWWSJQTQGKKH-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.63
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide (PubChem CID 79221431) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide
PubChem CID79221431
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1CC1CSc2ccccc21
InChIInChI=1S/C14H19N3OS/c15-14(18)12-7-16-5-6-17(12)8-10-9-19-13-4-2-1-3-11(10)13/h1-4,10,12,16H,5-9H2,(H2,15,18)
InChIKeyIDKWWSJQTQGKKH-UHFFFAOYSA-N
XLogP0.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylpiperazine
CID 79221731
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-ethylpiperazine
CID 79221732
(2R)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 95804026
2-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 79221425
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrole-3-carboxylic acid
CID 79221343
1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 79318724
1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538840
4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2,6-dione
CID 79314912
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2,6-dione
CID 79221528
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]methanamine
CID 79220800
(2S)-1-[[2-[fluoro(diiodo)methyl]phenyl]methyl]piperazine-2-carboxamide
CID 170281869
2-(bromomethyl)-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidine
CID 80668670

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide (CID 79221431) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide is NC(=O)C1CNCCN1CC1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide?
The InChIKey is IDKWWSJQTQGKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c15-14(18)12-7-16-5-6-17(12)8-10-9-19-13-4-2-1-3-11(10)13/h1-4,10,12,16H,5-9H2,(H2,15,18).
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide?
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 79221431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).