N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C23H26N4O3S — CID 24817392

IUPACN-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2csc(C(C)=O)c2)CC1
InChIInChI=1S/C23H26N4O3S/c1-16(28)21-13-17(15-31-21)14-26-11-8-18(9-12-26)27-22(7-10-24-27)25-23(29)19-5-3-4-6-20(19)30-2/h3-7,10,13,15,18H,8-9,11-12,14H2,1-2H3,(H,25,29)
InChIKeySZEKNYXLJWEPFU-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.25
Rot. Bonds7

About N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 24817392) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID24817392
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2csc(C(C)=O)c2)CC1
InChIInChI=1S/C23H26N4O3S/c1-16(28)21-13-17(15-31-21)14-26-11-8-18(9-12-26)27-22(7-10-24-27)25-23(29)19-5-3-4-6-20(19)30-2/h3-7,10,13,15,18H,8-9,11-12,14H2,1-2H3,(H,25,29)
InChIKeySZEKNYXLJWEPFU-UHFFFAOYSA-N
XLogP4.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[1-(3-Furanylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24790587
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790322
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
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 24791138
2-methoxy-N-{1-[1-(2,4,5-trimethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24791449
N-(1-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 24793126
2-methoxy-N-(1-{1-[3-(5-methyl-2-furyl)butyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793127
4-methoxy-N-(1-{1-[1-methyl-2-(methylthio)ethyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24818846
US9687479, 278 1-[(2-methoxyphenyl)carbonyl]-3-(pyridin-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
CID 133081351
N-(1-{1-[(5-acetyl-3-thienyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793065
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 N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 24817392) is N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2csc(C(C)=O)c2)CC1.
What is the InChIKey of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is SZEKNYXLJWEPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-16(28)21-13-17(15-31-21)14-26-11-8-18(9-12-26)27-22(7-10-24-27)25-23(29)19-5-3-4-6-20(19)30-2/h3-7,10,13,15,18H,8-9,11-12,14H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 438.55 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 24817392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).