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

C21H20N4O4 — CID 167838729

IUPACN-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C21H20N4O4/c26-19(22-14-5-6-17-18(11-14)29-12-28-17)13-7-9-25(10-8-13)21-23-16-4-2-1-3-15(16)20(27)24-21/h1-6,11,13H,7-10,12H2,(H,22,26)(H,23,24,27)
InChIKeyBBKVKMKGKZXUMS-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.51
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide (PubChem CID 167838729) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide
PubChem CID167838729
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C21H20N4O4/c26-19(22-14-5-6-17-18(11-14)29-12-28-17)13-7-9-25(10-8-13)21-23-16-4-2-1-3-15(16)20(27)24-21/h1-6,11,13H,7-10,12H2,(H,22,26)(H,23,24,27)
InChIKeyBBKVKMKGKZXUMS-UHFFFAOYSA-N
XLogP2.51
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide
CID 16590027
methyl 6-[[1-(1H-benzimidazol-2-yl)piperidine-4-carbonyl]amino]-1,3-benzodioxole-5-carboxylate
CID 20882818
N-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313483
(1R,2R,3R,4R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-3H-quinazolin-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 135624111
(1R,2R,3R,4S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-3H-quinazolin-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 135921585
N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxamide
CID 8995705
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-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 40855341
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 8995848
1-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-N-phenylpiperidine-4-carboxamide
CID 135751825

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide (CID 167838729) is N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide?
The InChIKey is BBKVKMKGKZXUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-19(22-14-5-6-17-18(11-14)29-12-28-17)13-7-9-25(10-8-13)21-23-16-4-2-1-3-15(16)20(27)24-21/h1-6,11,13H,7-10,12H2,(H,22,26)(H,23,24,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 167838729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).