1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide

C22H23N3O5 — CID 8850769

IUPAC1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H23N3O5/c1-14(26)25-10-8-15(9-11-25)21(27)24-18-5-3-2-4-17(18)22(28)23-16-6-7-19-20(12-16)30-13-29-19/h2-7,12,15H,8-11,13H2,1H3,(H,23,28)(H,24,27)
InChIKeyOCPHJGONUKGEHU-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.86
Rot. Bonds4

About 1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide

1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 8850769) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID8850769
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H23N3O5/c1-14(26)25-10-8-15(9-11-25)21(27)24-18-5-3-2-4-17(18)22(28)23-16-6-7-19-20(12-16)30-13-29-19/h2-7,12,15H,8-11,13H2,1H3,(H,23,28)(H,24,27)
InChIKeyOCPHJGONUKGEHU-UHFFFAOYSA-N
XLogP2.86
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30748249
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 17435797
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897
N-(1,3-benzodioxol-5-yl)-1-(cubane-1-carbonyl)piperidine-4-carboxamide
CID 166433775
1-[(2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 41167121
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151021
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072840
(2S)-1-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 40813358
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N-(1,3-benzodioxol-5-yl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55788859

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 8850769) is 1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is OCPHJGONUKGEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14(26)25-10-8-15(9-11-25)21(27)24-18-5-3-2-4-17(18)22(28)23-16-6-7-19-20(12-16)30-13-29-19/h2-7,12,15H,8-11,13H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 8850769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).