1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide

C27H25N3O3 — CID 56506880

IUPAC1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)C1
InChIInChI=1S/C27H25N3O3/c28-26(32)19-4-3-13-30(16-19)15-17-7-10-20(11-8-17)29-27(33)18-9-12-22-21-5-1-2-6-23(21)25(31)24(22)14-18/h1-2,5-12,14,19H,3-4,13,15-16H2,(H2,28,32)(H,29,33)
InChIKeyWTKRCBXTDRERGF-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.85
Rot. Bonds5

About 1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56506880) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID56506880
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)C1
InChIInChI=1S/C27H25N3O3/c28-26(32)19-4-3-13-30(16-19)15-17-7-10-20(11-8-17)29-27(33)18-9-12-22-21-5-1-2-6-23(21)25(31)24(22)14-18/h1-2,5-12,14,19H,3-4,13,15-16H2,(H2,28,32)(H,29,33)
InChIKeyWTKRCBXTDRERGF-UHFFFAOYSA-N
XLogP3.85
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56509542
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[[4-[3-(2-aminophenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 120612866
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
1-[[4-[(2-amino-3-phenylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872112
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506879
N-[4-(2-morpholin-4-ylethyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55905281
4-[(9,10-dioxoanthracene-2-carbonyl)amino]benzoic acid
CID 155606415
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide (CID 56506880) is 1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)C1.
What is the InChIKey of 1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is WTKRCBXTDRERGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c28-26(32)19-4-3-13-30(16-19)15-17-7-10-20(11-8-17)29-27(33)18-9-12-22-21-5-1-2-6-23(21)25(31)24(22)14-18/h1-2,5-12,14,19H,3-4,13,15-16H2,(H2,28,32)(H,29,33).
What are the key properties of 1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56506880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).