4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C22H26N4O2S — CID 26399823

IUPAC4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3ccc(C)s3)CC2)cc1
InChIInChI=1S/C22H26N4O2S/c1-16-3-8-20(29-16)15-25-13-10-18(11-14-25)26-21(9-12-23-26)24-22(27)17-4-6-19(28-2)7-5-17/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,27)
InChIKeyFXSNYZUZFRCDDS-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.35
Rot. Bonds6

About 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 26399823) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID26399823
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3ccc(C)s3)CC2)cc1
InChIInChI=1S/C22H26N4O2S/c1-16-3-8-20(29-16)15-25-13-10-18(11-14-25)26-21(9-12-23-26)24-22(27)17-4-6-19(28-2)7-5-17/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,27)
InChIKeyFXSNYZUZFRCDDS-UHFFFAOYSA-N
XLogP4.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]benzamide
CID 156010447
N-[1-(1-{[2-(dimethylamino)-1,3-thiazol-5-yl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24791085
N-{1-[1-(4-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24791108
4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791316
N-[1-(1-cyclobutyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 24816610
N-{1-[1-(4-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816991
4-methoxy-N-{1-[1-(4-pyridinylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24817226
4-methoxy-N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817414
4-methoxy-N-(1-{1-[1-methyl-2-(methylthio)ethyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24818846
N-(4-methoxybenzyl)-3-(3-pyridinyl)-1-(2-thienylcarbonyl)-1H-1,2,4-triazol-5-amine
CID 2239603
N-{1-[1-(3-fluoro-4-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 24790743
2-methoxy-N-(1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793895

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 26399823) is 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3ccc(C)s3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is FXSNYZUZFRCDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-16-3-8-20(29-16)15-25-13-10-18(11-14-25)26-21(9-12-23-26)24-22(27)17-4-6-19(28-2)7-5-17/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,27).
What are the key properties of 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 26399823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).