2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate

C24H28N2O4 — CID 56547669

IUPAC2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(=O)NC2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C24H28N2O4/c1-16(2)15-29-24(28)26-13-11-17(12-14-26)23(27)25-22-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)22/h3-10,16-17,22H,11-15H2,1-2H3,(H,25,27)
InChIKeyBVGFJSBLVIRYJK-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.50
Rot. Bonds4

About 2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate

2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate (PubChem CID 56547669) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate
PubChem CID56547669
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C(=O)NC2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C24H28N2O4/c1-16(2)15-29-24(28)26-13-11-17(12-14-26)23(27)25-22-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)22/h3-10,16-17,22H,11-15H2,1-2H3,(H,25,27)
InChIKeyBVGFJSBLVIRYJK-UHFFFAOYSA-N
XLogP4.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate (CID 56547669) is 2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(C(=O)NC2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of 2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is BVGFJSBLVIRYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16(2)15-29-24(28)26-13-11-17(12-14-26)23(27)25-22-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)22/h3-10,16-17,22H,11-15H2,1-2H3,(H,25,27).
What are the key properties of 2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate?
2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(9H-xanthen-9-ylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 56547669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).