5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C20H24N4OS — CID 128968595

IUPAC5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCN(Cc2csc3ccccc23)C1
InChIInChI=1S/C20H24N4OS/c1-23(2)20(25)17-10-21-22-19(17)14-6-5-9-24(11-14)12-15-13-26-18-8-4-3-7-16(15)18/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,21,22)
InChIKeyHEYRLMLEOLIQDE-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.71
Rot. Bonds4

About 5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 128968595) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID128968595
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCN(Cc2csc3ccccc23)C1
InChIInChI=1S/C20H24N4OS/c1-23(2)20(25)17-10-21-22-19(17)14-6-5-9-24(11-14)12-15-13-26-18-8-4-3-7-16(15)18/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,21,22)
InChIKeyHEYRLMLEOLIQDE-UHFFFAOYSA-N
XLogP3.71
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259464
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
N-benzyl-5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110083044
5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110082956
N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95805304
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591
3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 128998937
2-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]acetic acid
CID 63738099
N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124955098
morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 110082993
(3S)-1-(1-benzothiophen-3-ylmethyl)-3-propan-2-ylpiperidine
CID 66807220
N-benzyl-5-[(3S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805312

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 128968595) is 5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1C1CCCN(Cc2csc3ccccc23)C1.
What is the InChIKey of 5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is HEYRLMLEOLIQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-23(2)20(25)17-10-21-22-19(17)14-6-5-9-24(11-14)12-15-13-26-18-8-4-3-7-16(15)18/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,21,22).
What are the key properties of 5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128968595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).