9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate

C21H22N2O3 — CID 59751608

IUPAC9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
SMILESCC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c1-15(24)22-10-12-23(13-11-22)21(25)26-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,20H,10-14H2,1H3
InChIKeyHQNPFHXOMBGCJG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.10
Rot. Bonds2

About 9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate

9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate (PubChem CID 59751608) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
PubChem CID59751608
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
SMILESCC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c1-15(24)22-10-12-23(13-11-22)21(25)26-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,20H,10-14H2,1H3
InChIKeyHQNPFHXOMBGCJG-UHFFFAOYSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
CID 63310757
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate (CID 59751608) is 9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate is CC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate?
The InChIKey is HQNPFHXOMBGCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(24)22-10-12-23(13-11-22)21(25)26-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,20H,10-14H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate?
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate is sourced from PubChem (CID 59751608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).