2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide

C20H23N3O — CID 8774574

IUPAC2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C20H23N3O/c1-21-19(24)14-22-10-12-23(13-11-22)20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-9,20H,10-14H2,1H3,(H,21,24)
InChIKeySXJQBZRBVVACBH-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.12
Rot. Bonds3

About 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide

2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide (PubChem CID 8774574) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide
PubChem CID8774574
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C20H23N3O/c1-21-19(24)14-22-10-12-23(13-11-22)20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-9,20H,10-14H2,1H3,(H,21,24)
InChIKeySXJQBZRBVVACBH-UHFFFAOYSA-N
XLogP2.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 72550463
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-phenylethanone
CID 2814694
1-(2,5-dimethoxyphenyl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone
CID 4226165
1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride
CID 24842181
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110835
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanone
CID 2815524
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 118725821
N-methyl-2-[4-[[(5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]amino]piperidin-1-yl]acetamide
CID 97062268
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-methylacetamide
CID 17434577
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide (CID 8774574) is 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is SXJQBZRBVVACBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-21-19(24)14-22-10-12-23(13-11-22)20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-9,20H,10-14H2,1H3,(H,21,24).
What are the key properties of 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide?
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 321.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 8774574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).