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

C22H23N3O5 — CID 146379985

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCCN(C(=O)c3ccccn3)C1)OCO2
InChIInChI=1S/C22H23N3O5/c1-14(26)16-10-19-20(30-13-29-19)11-18(16)24-21(27)9-15-5-4-8-25(12-15)22(28)17-6-2-3-7-23-17/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3,(H,24,27)
InChIKeyZQEJWDDMHREMJY-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.89
Rot. Bonds5

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 146379985) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID146379985
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCCN(C(=O)c3ccccn3)C1)OCO2
InChIInChI=1S/C22H23N3O5/c1-14(26)16-10-19-20(30-13-29-19)11-18(16)24-21(27)9-15-5-4-8-25(12-15)22(28)17-6-2-3-7-23-17/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3,(H,24,27)
InChIKeyZQEJWDDMHREMJY-UHFFFAOYSA-N
XLogP2.89
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-acetylpyrrolidin-3-yl)acetamide
CID 146379924
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide
CID 146379820
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 166005021
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide
CID 146379932
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557481
[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110661869
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide (CID 146379985) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)CC1CCCN(C(=O)c3ccccn3)C1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is ZQEJWDDMHREMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14(26)16-10-19-20(30-13-29-19)11-18(16)24-21(27)9-15-5-4-8-25(12-15)22(28)17-6-2-3-7-23-17/h2-3,6-7,10-11,15H,4-5,8-9,12-13H2,1H3,(H,24,27).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 146379985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).