N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C20H26N4O2S — CID 24790119

IUPACN-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCSCC(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2S/c1-27-15-20(26)23-13-10-17(11-14-23)24-18(9-12-21-24)22-19(25)8-7-16-5-3-2-4-6-16/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3,(H,22,25)
InChIKeyHAIBXVZJNOLNJN-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.98
Rot. Bonds7

About N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24790119) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24790119
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCSCC(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2S/c1-27-15-20(26)23-13-10-17(11-14-23)24-18(9-12-21-24)22-19(25)8-7-16-5-3-2-4-6-16/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3,(H,22,25)
InChIKeyHAIBXVZJNOLNJN-UHFFFAOYSA-N
XLogP2.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24790119) is N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is CSCC(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is HAIBXVZJNOLNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-27-15-20(26)23-13-10-17(11-14-23)24-18(9-12-21-24)22-19(25)8-7-16-5-3-2-4-6-16/h2-6,9,12,17H,7-8,10-11,13-15H2,1H3,(H,22,25).
What are the key properties of N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 386.52 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24790119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).