N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide

C22H26N4OS — CID 45172705

IUPACN-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCC(c3[nH]ncc3-c3ccc(C)cc3)C2)s1
InChIInChI=1S/C22H26N4OS/c1-15-5-7-17(8-6-15)20-12-23-25-22(20)18-4-3-11-26(13-18)14-19-9-10-21(28-19)24-16(2)27/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyLAKIIGLCFPJOLS-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.78
Rot. Bonds5

About N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide

N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide (PubChem CID 45172705) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
PubChem CID45172705
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCCC(c3[nH]ncc3-c3ccc(C)cc3)C2)s1
InChIInChI=1S/C22H26N4OS/c1-15-5-7-17(8-6-15)20-12-23-25-22(20)18-4-3-11-26(13-18)14-19-9-10-21(28-19)24-16(2)27/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyLAKIIGLCFPJOLS-UHFFFAOYSA-N
XLogP4.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]acetamide
CID 70731856
(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
CID 29256573
2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 95196951
(3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 29087992
2-hydroxy-2-methyl-1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 56746262
3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine
CID 45237286
3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 70747126
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 56738196
4-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95220798
(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methylphenyl)methyl]piperidine
CID 42479334
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 95211783

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide (CID 45172705) is N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide is CC(=O)Nc1ccc(CN2CCCC(c3[nH]ncc3-c3ccc(C)cc3)C2)s1.
What is the InChIKey of N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?
The InChIKey is LAKIIGLCFPJOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-15-5-7-17(8-6-15)20-12-23-25-22(20)18-4-3-11-26(13-18)14-19-9-10-21(28-19)24-16(2)27/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?
N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide has a molecular weight of 394.54 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 45172705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).