1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid

C26H40N6O5 — CID 159625952

IUPAC1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid
SMILESCN1CCN(C(=O)c2cc3c([nH]2)CCOC3)CC1.CN1CCNCC1.O=C(O)c1cc2c([nH]1)CCOC2
InChIInChI=1S/C13H19N3O2.C8H9NO3.C5H12N2/c1-15-3-5-16(6-4-15)13(17)12-8-10-9-18-7-2-11(10)14-12;10-8(11)7-3-5-4-12-2-1-6(5)9-7;1-7-4-2-6-3-5-7/h8,14H,2-7,9H2,1H3;3,9H,1-2,4H2,(H,10,11);6H,2-5H2,1H3
InChIKeyMOMKDOGGSHFAOC-UHFFFAOYSA-N
MW516.64 g/mol
LogP0.78
Rot. Bonds2

About 1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid

1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid (PubChem CID 159625952) has the molecular formula C26H40N6O5 and a molecular weight of 516.64 g/mol. Its IUPAC name is 1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid
PubChem CID159625952
Molecular FormulaC26H40N6O5
Molecular Weight516.64 g/mol
Exact Mass516.31
IUPAC Name1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid
SMILESCN1CCN(C(=O)c2cc3c([nH]2)CCOC3)CC1.CN1CCNCC1.O=C(O)c1cc2c([nH]1)CCOC2
InChIInChI=1S/C13H19N3O2.C8H9NO3.C5H12N2/c1-15-3-5-16(6-4-15)13(17)12-8-10-9-18-7-2-11(10)14-12;10-8(11)7-3-5-4-12-2-1-6(5)9-7;1-7-4-2-6-3-5-7/h8,14H,2-7,9H2,1H3;3,9H,1-2,4H2,(H,10,11);6H,2-5H2,1H3
InChIKeyMOMKDOGGSHFAOC-UHFFFAOYSA-N
XLogP0.78
TPSA126.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.64
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Methyl 4-{[4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2-(3-pyridyl)(3-pyrrolin-3-yl)]carbonyl}-3,5-dimethylpyrrole-2-carboxylate
CID 5389675
Ethyl 4-{[4-hydroxy-1-(3-morpholin-4-ylpropyl)-5-oxo-2-(3-pyridyl)(3-pyrrolin-3-yl)]carbonyl}-3,5-dimethylpyrrole-2-carboxylate
CID 5389735
methyl 4-{[4-hydroxy-1-[3-(4-morpholinyl)propyl]-5-oxo-2-(2-pyridinyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 5739108
methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2949827
methyl 4-[hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 663278
ethyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 663687
methyl (2R)-1-[[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]carbamoyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-8-yl]-hydroxymethyl]pyrrolidine-2-carboxylate
CID 134233420
methyl 2-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-indole-7-carboxylate;[2-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-indol-7-yl] trifluoromethanesulfonate
CID 158435951
methyl 4-[(E)-hydroxy-[(2S)-1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 5531642
Ethyl 4-{[4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2-(3-pyridyl)(3-pyrrolin-3-yl)]carbonyl}-3,5-dimethylpyrrole-2-carboxylate
CID 5739132
(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;1H-indole-2-carboxylic acid
CID 66916726
Piperazin-1-yl(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone
CID 68082059

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid?
The IUPAC name of 1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid (CID 159625952) is 1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid is CN1CCN(C(=O)c2cc3c([nH]2)CCOC3)CC1.CN1CCNCC1.O=C(O)c1cc2c([nH]1)CCOC2.
What is the InChIKey of 1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid?
The InChIKey is MOMKDOGGSHFAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.C8H9NO3.C5H12N2/c1-15-3-5-16(6-4-15)13(17)12-8-10-9-18-7-2-11(10)14-12;10-8(11)7-3-5-4-12-2-1-6(5)9-7;1-7-4-2-6-3-5-7/h8,14H,2-7,9H2,1H3;3,9H,1-2,4H2,(H,10,11);6H,2-5H2,1H3.
What are the key properties of 1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid?
1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid has a molecular weight of 516.64 g/mol, XLogP of 0.78, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;(4-methylpiperazin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-b]pyrrol-2-yl)methanone;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 159625952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).