[(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate

C16H18N2O2 — CID 79345565

IUPAC[(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc2ccccc12)O[C@H]1CCCNC1
InChIInChI=1S/C16H18N2O2/c19-16(20-13-7-4-10-17-11-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13,17H,4,7,10-11H2,(H,18,19)/t13-/m0/s1
InChIKeyUQUCLEBUVFTNFF-ZDUSSCGKSA-N
MW270.33 g/mol
LogP3.14
Rot. Bonds2

About [(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate

[(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate (PubChem CID 79345565) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name[(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate
PubChem CID79345565
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate
SMILESO=C(Nc1cccc2ccccc12)O[C@H]1CCCNC1
InChIInChI=1S/C16H18N2O2/c19-16(20-13-7-4-10-17-11-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13,17H,4,7,10-11H2,(H,18,19)/t13-/m0/s1
InChIKeyUQUCLEBUVFTNFF-ZDUSSCGKSA-N
XLogP3.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate?
The IUPAC name of [(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate (CID 79345565) is [(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate.
What is the SMILES notation for [(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate?
The canonical SMILES for [(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate is O=C(Nc1cccc2ccccc12)O[C@H]1CCCNC1.
What is the InChIKey of [(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate?
The InChIKey is UQUCLEBUVFTNFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20-13-7-4-10-17-11-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13,17H,4,7,10-11H2,(H,18,19)/t13-/m0/s1.
What are the key properties of [(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate?
[(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate has a molecular weight of 270.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-piperidin-3-yl] N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 79345565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).