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

C23H26N4O2S — CID 42393661

IUPACN-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCC(=O)c1cc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cs1
InChIInChI=1S/C23H26N4O2S/c1-17(28)21-13-19(16-30-21)15-26-11-8-20(9-12-26)27-22(7-10-24-27)25-23(29)14-18-5-3-2-4-6-18/h2-7,10,13,16,20H,8-9,11-12,14-15H2,1H3,(H,25,29)
InChIKeyWZEUFAYMYRWRFS-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.17
Rot. Bonds7

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

N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 42393661) 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-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID42393661
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-phenylacetamide
SMILESCC(=O)c1cc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cs1
InChIInChI=1S/C23H26N4O2S/c1-17(28)21-13-19(16-30-21)15-26-11-8-20(9-12-26)27-22(7-10-24-27)25-23(29)14-18-5-3-2-4-6-18/h2-7,10,13,16,20H,8-9,11-12,14-15H2,1H3,(H,25,29)
InChIKeyWZEUFAYMYRWRFS-UHFFFAOYSA-N
XLogP4.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[[4-[(1-methylpiperidin-4-yl)amino]benzoyl]amino]-1H-pyrazol-5-yl]thiophene-3-carboxamide
CID 155541642
Cambridge id 5583804
CID 1350714
N-{4-[(4-methyl-1-piperazinyl)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-thiophenecarboxamide
CID 1350909
2-methyl-N-(1-{1-[4-(methylthio)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24791730
N-[2-[1-[(1-isopropylpyrazol-4-yl)methyl]-4-piperidyl]pyrazol-3-yl]-2-methyl-benzamide
CID 24791977
N-(1-{1-[4-(methylthio)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24817325
N-(1-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24817749
N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24817764
2-phenyl-N-{1-[1-(1,3-thiazol-2-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}acetamide
CID 24790806
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
N-(1-{1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24819278
2-[5-methyl-4-(4-phenylpiperidine-1-carbonyl)pyrazol-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049187

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 42393661) is N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is CC(=O)c1cc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cs1.
What is the InChIKey of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is WZEUFAYMYRWRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-17(28)21-13-19(16-30-21)15-26-11-8-20(9-12-26)27-22(7-10-24-27)25-23(29)14-18-5-3-2-4-6-18/h2-7,10,13,16,20H,8-9,11-12,14-15H2,1H3,(H,25,29).
What are the key properties of N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 422.55 g/mol, XLogP of 4.17, 7 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-phenylacetamide is sourced from PubChem (CID 42393661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).