methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate

C28H25N3O3 — CID 506169

IUPACmethyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate
SMILESCOC(=O)c1cccc2c1C(N1CCN(C(=O)c3ccc4[nH]ccc4c3)CC1)c1ccccc1-2
InChIInChI=1S/C28H25N3O3/c1-34-28(33)23-8-4-7-21-20-5-2-3-6-22(20)26(25(21)23)30-13-15-31(16-14-30)27(32)19-9-10-24-18(17-19)11-12-29-24/h2-12,17,26,29H,13-16H2,1H3
InChIKeyAHPDWCPVDFKHEC-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.48
Rot. Bonds3

About methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate

methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate (PubChem CID 506169) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate.

Molecular Properties

Compound Namemethyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate
PubChem CID506169
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Namemethyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate
SMILESCOC(=O)c1cccc2c1C(N1CCN(C(=O)c3ccc4[nH]ccc4c3)CC1)c1ccccc1-2
InChIInChI=1S/C28H25N3O3/c1-34-28(33)23-8-4-7-21-20-5-2-3-6-22(20)26(25(21)23)30-13-15-31(16-14-30)27(32)19-9-10-24-18(17-19)11-12-29-24/h2-12,17,26,29H,13-16H2,1H3
InChIKeyAHPDWCPVDFKHEC-UHFFFAOYSA-N
XLogP4.48
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluoren-2-yl]cyclopropanecarboxamide
CID 134156364
[4-(2,7-dibromo-9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 506176
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 118725821
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
3-[4-(1H-indole-5-carbonyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 87054817
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 25093354
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 70776536
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
methyl 1H-indole-5-carboxylate;pyridine
CID 175088239

Frequently Asked Questions

What is the IUPAC name of methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate?
The IUPAC name of methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate (CID 506169) is methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate.
What is the SMILES notation for methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate?
The canonical SMILES for methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate is COC(=O)c1cccc2c1C(N1CCN(C(=O)c3ccc4[nH]ccc4c3)CC1)c1ccccc1-2.
What is the InChIKey of methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate?
The InChIKey is AHPDWCPVDFKHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-34-28(33)23-8-4-7-21-20-5-2-3-6-22(20)26(25(21)23)30-13-15-31(16-14-30)27(32)19-9-10-24-18(17-19)11-12-29-24/h2-12,17,26,29H,13-16H2,1H3.
What are the key properties of methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate?
methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate has a molecular weight of 451.53 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[4-(1H-indole-5-carbonyl)piperazin-1-yl]-9H-fluorene-1-carboxylate is sourced from PubChem (CID 506169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).