1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide

C19H25N3O5 — CID 146379903

IUPAC1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1CCCC(C(=O)N(C)C)C1)OCO2
InChIInChI=1S/C19H25N3O5/c1-12(23)14-7-16-17(27-11-26-16)8-15(14)20-18(24)10-22-6-4-5-13(9-22)19(25)21(2)3/h7-8,13H,4-6,9-11H2,1-3H3,(H,20,24)
InChIKeyDXVGEPNGUHAKQG-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.36
Rot. Bonds5

About 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide

1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 146379903) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID146379903
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1CCCC(C(=O)N(C)C)C1)OCO2
InChIInChI=1S/C19H25N3O5/c1-12(23)14-7-16-17(27-11-26-16)8-15(14)20-18(24)10-22-6-4-5-13(9-22)19(25)21(2)3/h7-8,13H,4-6,9-11H2,1-3H3,(H,20,24)
InChIKeyDXVGEPNGUHAKQG-UHFFFAOYSA-N
XLogP1.36
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide with MolForge

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Related Compounds

ethyl 1-[2-[(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 146379906
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18084854
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
CID 148712456
2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30739132
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 18084866
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 1439070
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methylpiperidin-1-yl)acetamide
CID 655232
N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide
CID 146379911
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-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide
CID 167605837
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975070
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide
CID 146379924

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide (CID 146379903) is 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide is CC(=O)c1cc2c(cc1NC(=O)CN1CCCC(C(=O)N(C)C)C1)OCO2.
What is the InChIKey of 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is DXVGEPNGUHAKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-12(23)14-7-16-17(27-11-26-16)8-15(14)20-18(24)10-22-6-4-5-13(9-22)19(25)21(2)3/h7-8,13H,4-6,9-11H2,1-3H3,(H,20,24).
What are the key properties of 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide?
1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 146379903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).