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

C23H26N4O2S — CID 24794280

IUPACN-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCC(=O)c1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cs1
InChIInChI=1S/C23H26N4O2S/c1-16-5-3-4-6-20(16)23(29)25-22-7-10-24-27(22)19-8-11-26(12-9-19)14-18-13-21(17(2)28)30-15-18/h3-7,10,13,15,19H,8-9,11-12,14H2,1-2H3,(H,25,29)
InChIKeyUNSNOSHSSLHROC-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.55
Rot. Bonds6

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

N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (PubChem CID 24794280) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
PubChem CID24794280
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCC(=O)c1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cs1
InChIInChI=1S/C23H26N4O2S/c1-16-5-3-4-6-20(16)23(29)25-22-7-10-24-27(22)19-8-11-26(12-9-19)14-18-13-21(17(2)28)30-15-18/h3-7,10,13,15,19H,8-9,11-12,14H2,1-2H3,(H,25,29)
InChIKeyUNSNOSHSSLHROC-UHFFFAOYSA-N
XLogP4.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.55
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]-2-methylbenzamide?
The IUPAC name of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (CID 24794280) is N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is CC(=O)c1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cs1.
What is the InChIKey of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is UNSNOSHSSLHROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-5-3-4-6-20(16)23(29)25-22-7-10-24-27(22)19-8-11-26(12-9-19)14-18-13-21(17(2)28)30-15-18/h3-7,10,13,15,19H,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-methylbenzamide?
N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 422.55 g/mol, XLogP of 4.55, 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]-2-methylbenzamide is sourced from PubChem (CID 24794280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).