(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate

C55H53N7O11 — CID 159140529

IUPAC(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCNCC2)nc1.O=C(O)c1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1.O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O
InChIInChI=1S/C25H23N3O4.C19H15NO5.C11H15N3O2/c29-24(30)17-9-10-23(26-15-17)27-11-13-28(14-12-27)25(31)32-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;1-16-11(15)9-2-3-10(13-8-9)14-6-4-12-5-7-14/h1-10,15,22H,11-14,16H2,(H,29,30);1-8,16H,9-11H2;2-3,8,12H,4-7H2,1H3
InChIKeyKIAOMBPRYKSWMT-UHFFFAOYSA-N
MW988.07 g/mol
LogP7.14
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate

(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate (PubChem CID 159140529) has the molecular formula C55H53N7O11 and a molecular weight of 988.07 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate
PubChem CID159140529
Molecular FormulaC55H53N7O11
Molecular Weight988.07 g/mol
Exact Mass987.38
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCNCC2)nc1.O=C(O)c1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1.O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O
InChIInChI=1S/C25H23N3O4.C19H15NO5.C11H15N3O2/c29-24(30)17-9-10-23(26-15-17)27-11-13-28(14-12-27)25(31)32-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;1-16-11(15)9-2-3-10(13-8-9)14-6-4-12-5-7-14/h1-10,15,22H,11-14,16H2,(H,29,30);1-8,16H,9-11H2;2-3,8,12H,4-7H2,1H3
InChIKeyKIAOMBPRYKSWMT-UHFFFAOYSA-N
XLogP7.14
TPSA210.34 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500988.07
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 131441818
9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)-2-pyridinyl]piperazine-1-carboxylate;iodomethane;N-(oxan-2-yloxy)-6-piperazin-1-ylpyridine-3-carboxamide
CID 161006039
6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 131423946
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
methyl 6-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate
CID 169469992
(2S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170451425
(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate
CID 18968177
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate
CID 14987941
(2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate
CID 148558387
9H-fluoren-9-ylmethyl 4-[5-(oxan-2-yloxycarbamoyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 58896211
6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate (CID 159140529) is (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate is COC(=O)c1ccc(N2CCNCC2)nc1.O=C(O)c1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1.O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate?
The InChIKey is KIAOMBPRYKSWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4.C19H15NO5.C11H15N3O2/c29-24(30)17-9-10-23(26-15-17)27-11-13-28(14-12-27)25(31)32-16-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;1-16-11(15)9-2-3-10(13-8-9)14-6-4-12-5-7-14/h1-10,15,22H,11-14,16H2,(H,29,30);1-8,16H,9-11H2;2-3,8,12H,4-7H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate has a molecular weight of 988.07 g/mol, XLogP of 7.14, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate;6-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid;methyl 6-piperazin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 159140529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).