1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine

C17H19N3S — CID 126464915

IUPAC1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine
SMILESc1ccc2sc(CN3CCCC(c4ccn[nH]4)C3)cc2c1
InChIInChI=1S/C17H19N3S/c1-2-6-17-13(4-1)10-15(21-17)12-20-9-3-5-14(11-20)16-7-8-18-19-16/h1-2,4,6-8,10,14H,3,5,9,11-12H2,(H,18,19)
InChIKeyZAHHDRBZHKSCQX-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.00
Rot. Bonds3

About 1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine

1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 126464915) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine
PubChem CID126464915
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine
SMILESc1ccc2sc(CN3CCCC(c4ccn[nH]4)C3)cc2c1
InChIInChI=1S/C17H19N3S/c1-2-6-17-13(4-1)10-15(21-17)12-20-9-3-5-14(11-20)16-7-8-18-19-16/h1-2,4,6-8,10,14H,3,5,9,11-12H2,(H,18,19)
InChIKeyZAHHDRBZHKSCQX-UHFFFAOYSA-N
XLogP4.00
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124568885
1-(1-benzothiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 4313757
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 122139250
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
2-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]acetamide
CID 97160286
1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
3-(furan-2-yl)-5-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124842582
2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 95762195
5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125012821

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine (CID 126464915) is 1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine is c1ccc2sc(CN3CCCC(c4ccn[nH]4)C3)cc2c1.
What is the InChIKey of 1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is ZAHHDRBZHKSCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-2-6-17-13(4-1)10-15(21-17)12-20-9-3-5-14(11-20)16-7-8-18-19-16/h1-2,4,6-8,10,14H,3,5,9,11-12H2,(H,18,19).
What are the key properties of 1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine?
1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine has a molecular weight of 297.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 126464915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).