9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate

C27H35N3O6 — CID 175087548

IUPAC9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate
SMILESO=C(NCCOCCOCCO)NN1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H35N3O6/c31-14-16-35-18-17-34-15-11-28-27(33)29-30-12-9-20(10-13-30)26(32)36-19-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-8,20,25,31H,9-19H2,(H2,28,29,33)
InChIKeyFQJRXEJEGXOMAH-UHFFFAOYSA-N
MW497.59 g/mol
LogP2.29
Rot. Bonds12

About 9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate

9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate (PubChem CID 175087548) has the molecular formula C27H35N3O6 and a molecular weight of 497.59 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate
PubChem CID175087548
Molecular FormulaC27H35N3O6
Molecular Weight497.59 g/mol
Exact Mass497.25
IUPAC Name9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate
SMILESO=C(NCCOCCOCCO)NN1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H35N3O6/c31-14-16-35-18-17-34-15-11-28-27(33)29-30-12-9-20(10-13-30)26(32)36-19-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-8,20,25,31H,9-19H2,(H2,28,29,33)
InChIKeyFQJRXEJEGXOMAH-UHFFFAOYSA-N
XLogP2.29
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 134528524
9H-fluoren-9-ylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
CID 17039577
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate
CID 163654745
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
CID 11648094
9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170901439
9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate
CID 53442786
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
2-[4,7-bis(carboxymethyl)-10-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118103274
2-[4,7,10-tris[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118103272

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate (CID 175087548) is 9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate is O=C(NCCOCCOCCO)NN1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate?
The InChIKey is FQJRXEJEGXOMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O6/c31-14-16-35-18-17-34-15-11-28-27(33)29-30-12-9-20(10-13-30)26(32)36-19-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-8,20,25,31H,9-19H2,(H2,28,29,33).
What are the key properties of 9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate?
9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate has a molecular weight of 497.59 g/mol, XLogP of 2.29, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoylamino]piperidine-4-carboxylate is sourced from PubChem (CID 175087548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).