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

C22H24N4O2S — CID 24793065

IUPACN-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCC(=O)c1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)cs1
InChIInChI=1S/C22H24N4O2S/c1-16(27)20-13-17(15-29-20)14-25-11-8-19(9-12-25)26-21(7-10-23-26)24-22(28)18-5-3-2-4-6-18/h2-7,10,13,15,19H,8-9,11-12,14H2,1H3,(H,24,28)
InChIKeyGTGVLFMEVWFCLH-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.24
Rot. Bonds6

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

N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24793065) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24793065
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCC(=O)c1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)cs1
InChIInChI=1S/C22H24N4O2S/c1-16(27)20-13-17(15-29-20)14-25-11-8-19(9-12-25)26-21(7-10-23-26)24-22(28)18-5-3-2-4-6-18/h2-7,10,13,15,19H,8-9,11-12,14H2,1H3,(H,24,28)
InChIKeyGTGVLFMEVWFCLH-UHFFFAOYSA-N
XLogP4.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24793065) is N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is CC(=O)c1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)cs1.
What is the InChIKey of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is GTGVLFMEVWFCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16(27)20-13-17(15-29-20)14-25-11-8-19(9-12-25)26-21(7-10-23-26)24-22(28)18-5-3-2-4-6-18/h2-7,10,13,15,19H,8-9,11-12,14H2,1H3,(H,24,28).
What are the key properties of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 408.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]benzamide is sourced from PubChem (CID 24793065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).