[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate

C22H26N2O4 — CID 23766816

IUPAC[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate
SMILESO=C(Oc1ccc2cccc(OC(=O)N3CCCCC3)c2c1)N1CCCCC1
InChIInChI=1S/C22H26N2O4/c25-21(23-12-3-1-4-13-23)27-18-11-10-17-8-7-9-20(19(17)16-18)28-22(26)24-14-5-2-6-15-24/h7-11,16H,1-6,12-15H2
InChIKeyGDGXKOWYESCVTQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.81
Rot. Bonds2

About [8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate

[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate (PubChem CID 23766816) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate
PubChem CID23766816
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate
SMILESO=C(Oc1ccc2cccc(OC(=O)N3CCCCC3)c2c1)N1CCCCC1
InChIInChI=1S/C22H26N2O4/c25-21(23-12-3-1-4-13-23)27-18-11-10-17-8-7-9-20(19(17)16-18)28-22(26)24-14-5-2-6-15-24/h7-11,16H,1-6,12-15H2
InChIKeyGDGXKOWYESCVTQ-UHFFFAOYSA-N
XLogP4.81
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate
CID 649992
(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate
CID 170622073
(6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate
CID 971360
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
naphthalen-1-yl thiomorpholine-4-carboxylate
CID 138533444
(4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate
CID 118041589
1H-indol-5-yl piperidine-1-carboxylate
CID 175932664
anthracen-1-ylmethyl piperidine-1-carboxylate
CID 160775391
(2-methylquinolin-6-yl) pyrrolidine-1-carboxylate
CID 59825519
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate
CID 142555031
(3-acetamido-2-propanoyloxyphenyl) pyrrolidine-1-carboxylate
CID 175598932

Frequently Asked Questions

What is the IUPAC name of [8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate?
The IUPAC name of [8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate (CID 23766816) is [8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate.
What is the SMILES notation for [8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate?
The canonical SMILES for [8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate is O=C(Oc1ccc2cccc(OC(=O)N3CCCCC3)c2c1)N1CCCCC1.
What is the InChIKey of [8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate?
The InChIKey is GDGXKOWYESCVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-21(23-12-3-1-4-13-23)27-18-11-10-17-8-7-9-20(19(17)16-18)28-22(26)24-14-5-2-6-15-24/h7-11,16H,1-6,12-15H2.
What are the key properties of [8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate?
[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate is sourced from PubChem (CID 23766816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).