N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide

C20H26N2O5 — CID 146379928

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)C(C)C)CC1)OCO2
InChIInChI=1S/C20H26N2O5/c1-12(2)20(25)22-6-4-14(5-7-22)8-19(24)21-16-10-18-17(26-11-27-18)9-15(16)13(3)23/h9-10,12,14H,4-8,11H2,1-3H3,(H,21,24)
InChIKeyMHEFGCOGVDEIRI-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.84
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide (PubChem CID 146379928) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
PubChem CID146379928
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)C(C)C)CC1)OCO2
InChIInChI=1S/C20H26N2O5/c1-12(2)20(25)22-6-4-14(5-7-22)8-19(24)21-16-10-18-17(26-11-27-18)9-15(16)13(3)23/h9-10,12,14H,4-8,11H2,1-3H3,(H,21,24)
InChIKeyMHEFGCOGVDEIRI-UHFFFAOYSA-N
XLogP2.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide
CID 146379924
propyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 146379967
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 166005040
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide
CID 146379932
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 166005021
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]acetamide
CID 146379821
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 146349789
3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylic acid
CID 174163696
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 146379969
propyl 3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 146379907
4-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methylamino]piperidine-1-carboxylic acid
CID 174163699
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]acetamide
CID 146379830

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide (CID 146379928) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)C(C)C)CC1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The InChIKey is MHEFGCOGVDEIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-12(2)20(25)22-6-4-14(5-7-22)8-19(24)21-16-10-18-17(26-11-27-18)9-15(16)13(3)23/h9-10,12,14H,4-8,11H2,1-3H3,(H,21,24).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 146379928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).