N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide

C23H21N3O5 — CID 16590027

IUPACN-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C23H21N3O5/c27-21(24-16-5-6-19-20(12-16)31-13-30-19)14-7-9-26(10-8-14)23(29)17-11-15-3-1-2-4-18(15)25-22(17)28/h1-6,11-12,14H,7-10,13H2,(H,24,27)(H,25,28)
InChIKeyBAQQTOLZDHMTJD-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.75
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide (PubChem CID 16590027) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide
PubChem CID16590027
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C23H21N3O5/c27-21(24-16-5-6-19-20(12-16)31-13-30-19)14-7-9-26(10-8-14)23(29)17-11-15-3-1-2-4-18(15)25-22(17)28/h1-6,11-12,14H,7-10,13H2,(H,24,27)(H,25,28)
InChIKeyBAQQTOLZDHMTJD-UHFFFAOYSA-N
XLogP2.75
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 16613531
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-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 41410894
N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide
CID 167838729
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072840
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 8850769
N-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxybenzoyl)piperidine-4-carboxamide
CID 41410485
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
1-[2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylacetyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 41282914
4-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119179810
N-(1,3-benzodioxol-5-yl)-1-(2-chloroquinoline-6-carbonyl)piperidine-4-carboxamide
CID 55731130

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide (CID 16590027) is N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is BAQQTOLZDHMTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c27-21(24-16-5-6-19-20(12-16)31-13-30-19)14-7-9-26(10-8-14)23(29)17-11-15-3-1-2-4-18(15)25-22(17)28/h1-6,11-12,14H,7-10,13H2,(H,24,27)(H,25,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 16590027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).