N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide

C20H31N3OS — CID 45168680

IUPACN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)NC2CCCN(C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C20H31N3OS/c1-22-12-9-18(10-13-22)23-11-3-4-17(15-23)21-20(24)14-16-5-7-19(25-2)8-6-16/h5-8,17-18H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyPTMUIBWRDLLSNO-UHFFFAOYSA-N
MW361.56 g/mol
LogP2.63
Rot. Bonds5

About N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide

N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 45168680) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide
PubChem CID45168680
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)NC2CCCN(C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C20H31N3OS/c1-22-12-9-18(10-13-22)23-11-3-4-17(15-23)21-20(24)14-16-5-7-19(25-2)8-6-16/h5-8,17-18H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyPTMUIBWRDLLSNO-UHFFFAOYSA-N
XLogP2.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide (CID 45168680) is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(CC(=O)NC2CCCN(C3CCN(C)CC3)C2)cc1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is PTMUIBWRDLLSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-22-12-9-18(10-13-22)23-11-3-4-17(15-23)21-20(24)14-16-5-7-19(25-2)8-6-16/h5-8,17-18H,3-4,9-15H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide?
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 361.56 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 45168680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).