N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

C20H22N4O2S — CID 167932124

IUPACN-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCN(Cc2cn[nH]c2-c2ccsc2)CC1
InChIInChI=1S/C20H22N4O2S/c25-18-3-1-17(2-4-18)22-20(26)14-5-8-24(9-6-14)12-16-11-21-23-19(16)15-7-10-27-13-15/h1-4,7,10-11,13-14,25H,5-6,8-9,12H2,(H,21,23)(H,22,26)
InChIKeyBQDUECXLGZVIIW-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.69
Rot. Bonds5

About N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 167932124) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID167932124
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCN(Cc2cn[nH]c2-c2ccsc2)CC1
InChIInChI=1S/C20H22N4O2S/c25-18-3-1-17(2-4-18)22-20(26)14-5-8-24(9-6-14)12-16-11-21-23-19(16)15-7-10-27-13-15/h1-4,7,10-11,13-14,25H,5-6,8-9,12H2,(H,21,23)(H,22,26)
InChIKeyBQDUECXLGZVIIW-UHFFFAOYSA-N
XLogP3.69
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

7-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
CID 166288155
1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120837427
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 120903076
3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine
CID 120840166
2-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 120844166
3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120840165
(3R)-3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120845541
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 50814431
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 139011250
N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 18140749
N-methyl-N-[(1S)-2-phenyl-1-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]ethyl]thiophene-3-carboxamide
CID 42276524

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 167932124) is N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(O)cc1)C1CCN(Cc2cn[nH]c2-c2ccsc2)CC1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is BQDUECXLGZVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-18-3-1-17(2-4-18)22-20(26)14-5-8-24(9-6-14)12-16-11-21-23-19(16)15-7-10-27-13-15/h1-4,7,10-11,13-14,25H,5-6,8-9,12H2,(H,21,23)(H,22,26).
What are the key properties of N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?
N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 167932124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).