N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide

C22H26N2O4S — CID 41410677

IUPACN-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCCc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)sc1C
InChIInChI=1S/C22H26N2O4S/c1-3-4-16-11-20(29-14(16)2)22(26)24-9-7-15(8-10-24)21(25)23-17-5-6-18-19(12-17)28-13-27-18/h5-6,11-12,15H,3-4,7-10,13H2,1-2H3,(H,23,25)
InChIKeyMZQQQCGDKSDIMX-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.23
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 41410677) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID41410677
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCCc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)sc1C
InChIInChI=1S/C22H26N2O4S/c1-3-4-16-11-20(29-14(16)2)22(26)24-9-7-15(8-10-24)21(25)23-17-5-6-18-19(12-17)28-13-27-18/h5-6,11-12,15H,3-4,7-10,13H2,1-2H3,(H,23,25)
InChIKeyMZQQQCGDKSDIMX-UHFFFAOYSA-N
XLogP4.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 41410894
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(5-methyl-4-propylthiophene-2-carbonyl)piperidin-4-yl]methanone
CID 33184971
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
4-N-(1,3-benzodioxol-5-yl)-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 166188583
N-(1,3-benzodioxol-5-yl)-1-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carbonyl)piperidine-4-carboxamide
CID 30583227
N-(1,3-benzodioxol-5-yl)-5-[4-[(3-ethylphenyl)carbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330711
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401
(4-methoxypiperidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 71943781
N-(1,3-benzodioxol-5-yl)-1-(3-thiophen-2-ylpropanoyl)piperidine-4-carboxamide
CID 41411099
N-(1,3-benzodioxol-5-yl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55788859
N-(1,3-benzodioxol-5-yl)-1-[2-(2,3,4,5,6-pentafluorophenyl)acetyl]piperidine-4-carboxamide
CID 16575048
4-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119179810

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 41410677) is N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide is CCCc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)sc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is MZQQQCGDKSDIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-3-4-16-11-20(29-14(16)2)22(26)24-9-7-15(8-10-24)21(25)23-17-5-6-18-19(12-17)28-13-27-18/h5-6,11-12,15H,3-4,7-10,13H2,1-2H3,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 41410677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).