1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide

C21H27N3O2S — CID 25349077

IUPAC1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1cc(SCC(=O)N2CCC(C(N)=O)CC2)nc2c(C(C)C)cccc12
InChIInChI=1S/C21H27N3O2S/c1-13(2)16-5-4-6-17-14(3)11-18(23-20(16)17)27-12-19(25)24-9-7-15(8-10-24)21(22)26/h4-6,11,13,15H,7-10,12H2,1-3H3,(H2,22,26)
InChIKeyCFAZJXMUWHVUBQ-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.48
Rot. Bonds5

About 1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide

1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide (PubChem CID 25349077) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
PubChem CID25349077
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
SMILESCc1cc(SCC(=O)N2CCC(C(N)=O)CC2)nc2c(C(C)C)cccc12
InChIInChI=1S/C21H27N3O2S/c1-13(2)16-5-4-6-17-14(3)11-18(23-20(16)17)27-12-19(25)24-9-7-15(8-10-24)21(22)26/h4-6,11,13,15H,7-10,12H2,1-3H3,(H2,22,26)
InChIKeyCFAZJXMUWHVUBQ-UHFFFAOYSA-N
XLogP3.48
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide (CID 25349077) is 1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide is Cc1cc(SCC(=O)N2CCC(C(N)=O)CC2)nc2c(C(C)C)cccc12.
What is the InChIKey of 1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
The InChIKey is CFAZJXMUWHVUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-13(2)16-5-4-6-17-14(3)11-18(23-20(16)17)27-12-19(25)24-9-7-15(8-10-24)21(22)26/h4-6,11,13,15H,7-10,12H2,1-3H3,(H2,22,26).
What are the key properties of 1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide?
1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-8-propan-2-ylquinolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 25349077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).