9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate

C21H22N2O4 — CID 130560080

IUPAC9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate
SMILESNC(=O)C1(O)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C21H22N2O4/c22-19(24)21(26)10-5-11-23(13-21)20(25)27-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18,26H,5,10-13H2,(H2,22,24)
InChIKeyLSPAYHDCRABQDN-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.25
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate

9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate (PubChem CID 130560080) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate
PubChem CID130560080
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate
SMILESNC(=O)C1(O)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C21H22N2O4/c22-19(24)21(26)10-5-11-23(13-21)20(25)27-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18,26H,5,10-13H2,(H2,22,24)
InChIKeyLSPAYHDCRABQDN-UHFFFAOYSA-N
XLogP2.25
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate (CID 130560080) is 9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate is NC(=O)C1(O)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate?
The InChIKey is LSPAYHDCRABQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c22-19(24)21(26)10-5-11-23(13-21)20(25)27-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18,26H,5,10-13H2,(H2,22,24).
What are the key properties of 9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-carbamoyl-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 130560080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).