N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide

C23H33N5O3S — CID 167108895

IUPACN-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCn2cc(-c3ccc(C)c(S(=O)N4CCOCC4)c3)cn2)CC1
InChIInChI=1S/C23H33N5O3S/c1-18-3-4-20(15-23(18)32(30)28-11-13-31-14-12-28)21-16-24-27(17-21)10-9-26-7-5-22(6-8-26)25-19(2)29/h3-4,15-17,22H,5-14H2,1-2H3,(H,25,29)
InChIKeyGAAYEAHJVWMUEU-UHFFFAOYSA-N
MW459.62 g/mol
LogP1.81
Rot. Bonds7

About N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide

N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide (PubChem CID 167108895) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide
PubChem CID167108895
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC NameN-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCn2cc(-c3ccc(C)c(S(=O)N4CCOCC4)c3)cn2)CC1
InChIInChI=1S/C23H33N5O3S/c1-18-3-4-20(15-23(18)32(30)28-11-13-31-14-12-28)21-16-24-27(17-21)10-9-26-7-5-22(6-8-26)25-19(2)29/h3-4,15-17,22H,5-14H2,1-2H3,(H,25,29)
InChIKeyGAAYEAHJVWMUEU-UHFFFAOYSA-N
XLogP1.81
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
CID 171431398
2,2-dimethyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]propanamide
CID 163350952
1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea
CID 53236902
[(2R,4S)-1-acetyl-2-methyl-6-[1-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamic acid
CID 123501858
4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine
CID 167108894
propan-2-yl (3S)-4-acetyl-3-methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
CID 118317738
3-[4-(4-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide
CID 63327873
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
2-methyl-N-(1-methylpiperidin-4-yl)-5-(morpholin-4-ylmethyl)benzamide
CID 70846032
N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929460
2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzoic acid
CID 67106893
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide (CID 167108895) is N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CCn2cc(-c3ccc(C)c(S(=O)N4CCOCC4)c3)cn2)CC1.
What is the InChIKey of N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide?
The InChIKey is GAAYEAHJVWMUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-18-3-4-20(15-23(18)32(30)28-11-13-31-14-12-28)21-16-24-27(17-21)10-9-26-7-5-22(6-8-26)25-19(2)29/h3-4,15-17,22H,5-14H2,1-2H3,(H,25,29).
What are the key properties of N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide?
N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide has a molecular weight of 459.62 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazol-1-yl]ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 167108895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).