3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide

C17H22N4O4 — CID 172604568

IUPAC3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide
SMILESCOc1ccc(C(=O)NC2CCNCC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C17H22N4O4/c1-25-14-3-2-11(16(23)19-12-4-7-18-8-5-12)10-13(14)21-9-6-15(22)20-17(21)24/h2-3,10,12,18H,4-9H2,1H3,(H,19,23)(H,20,22,24)
InChIKeyGLXQVGDOVIDHON-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.62
Rot. Bonds4

About 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide

3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide (PubChem CID 172604568) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide
PubChem CID172604568
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide
SMILESCOc1ccc(C(=O)NC2CCNCC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C17H22N4O4/c1-25-14-3-2-11(16(23)19-12-4-7-18-8-5-12)10-13(14)21-9-6-15(22)20-17(21)24/h2-3,10,12,18H,4-9H2,1H3,(H,19,23)(H,20,22,24)
InChIKeyGLXQVGDOVIDHON-UHFFFAOYSA-N
XLogP0.62
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methoxy-5-(2,3,4,5,6-pentafluorobenzoyl)phenyl]-1,3-diazinane-2,4-dione
CID 171521582
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 175658269
3-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethoxy]propanoic acid
CID 171800273
3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
CID 79725951
3-(2,4-dioxo-1,3-diazinan-1-yl)benzoic acid;3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoic acid;3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylbenzoic acid
CID 167653140
N-[(3R)-4,4-difluoropyrrolidin-3-yl]-4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzamide
CID 167776194
phenyl 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoate
CID 175264333
1-(2-methoxy-5-piperazin-1-ylphenyl)-1,3-diazinane-2,4-dione
CID 167463577
4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid
CID 139534480
tert-butyl 3-[2-[2-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 172604144
N-[1-(2-methoxyphenyl)piperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 49204925
3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3-azaspiro[5.5]undecane-9-carbaldehyde
CID 171484980

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide (CID 172604568) is 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide is COc1ccc(C(=O)NC2CCNCC2)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide?
The InChIKey is GLXQVGDOVIDHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-25-14-3-2-11(16(23)19-12-4-7-18-8-5-12)10-13(14)21-9-6-15(22)20-17(21)24/h2-3,10,12,18H,4-9H2,1H3,(H,19,23)(H,20,22,24).
What are the key properties of 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide?
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide has a molecular weight of 346.39 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 172604568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).