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

C21H30N4OS — CID 24791284

IUPACN-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCSCC(C)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H30N4OS/c1-17(16-27-2)24-14-11-19(12-15-24)25-20(10-13-22-25)23-21(26)9-8-18-6-4-3-5-7-18/h3-7,10,13,17,19H,8-9,11-12,14-16H2,1-2H3,(H,23,26)
InChIKeyOXGBTXRDFHMNQL-UHFFFAOYSA-N
MW386.57 g/mol
LogP3.84
Rot. Bonds8

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

N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24791284) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24791284
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC NameN-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCSCC(C)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H30N4OS/c1-17(16-27-2)24-14-11-19(12-15-24)25-20(10-13-22-25)23-21(26)9-8-18-6-4-3-5-7-18/h3-7,10,13,17,19H,8-9,11-12,14-16H2,1-2H3,(H,23,26)
InChIKeyOXGBTXRDFHMNQL-UHFFFAOYSA-N
XLogP3.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24791284) is N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is CSCC(C)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is OXGBTXRDFHMNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c1-17(16-27-2)24-14-11-19(12-15-24)25-20(10-13-22-25)23-21(26)9-8-18-6-4-3-5-7-18/h3-7,10,13,17,19H,8-9,11-12,14-16H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 386.57 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24791284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).