N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C19H23ClN4OS — CID 120931578

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1cc2ccccc2s1.Cl
InChIInChI=1S/C19H22N4OS.ClH/c1-14(17-13-15-5-2-3-6-16(15)25-17)22-18(24)19(7-10-20-11-8-19)23-12-4-9-21-23;/h2-6,9,12-14,20H,7-8,10-11H2,1H3,(H,22,24);1H
InChIKeyNSFIZJURAHVKNT-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.48
Rot. Bonds4

About N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120931578) has the molecular formula C19H23ClN4OS and a molecular weight of 390.94 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120931578
Molecular FormulaC19H23ClN4OS
Molecular Weight390.94 g/mol
Exact Mass390.13
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1cc2ccccc2s1.Cl
InChIInChI=1S/C19H22N4OS.ClH/c1-14(17-13-15-5-2-3-6-16(15)25-17)22-18(24)19(7-10-20-11-8-19)23-12-4-9-21-23;/h2-6,9,12-14,20H,7-8,10-11H2,1H3,(H,22,24);1H
InChIKeyNSFIZJURAHVKNT-UHFFFAOYSA-N
XLogP3.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
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N-[1-(4-ethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
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4-pyrazol-1-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120933172
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924049
N-(1-cyclopropylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919574
N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
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N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936430
N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930752
N-[1-(4-methyl-3-nitrophenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937149
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120931578) is N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CC(NC(=O)C1(n2cccn2)CCNCC1)c1cc2ccccc2s1.Cl.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is NSFIZJURAHVKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS.ClH/c1-14(17-13-15-5-2-3-6-16(15)25-17)22-18(24)19(7-10-20-11-8-19)23-12-4-9-21-23;/h2-6,9,12-14,20H,7-8,10-11H2,1H3,(H,22,24);1H.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 390.94 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120931578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).