[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate

C29H29N3O3 — CID 22128785

IUPAC[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate
SMILESO=C(Nc1ccccn1)OCc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H29N3O3/c33-29(32-28-7-3-4-15-31-28)35-19-21-8-12-24(13-9-21)26-14-16-30-18-27(26)34-20-22-10-11-23-5-1-2-6-25(23)17-22/h1-13,15,17,26-27,30H,14,16,18-20H2,(H,31,32,33)
InChIKeyCMISXTRCFSMRJL-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.65
Rot. Bonds7

About [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate

[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate (PubChem CID 22128785) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Name[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate
PubChem CID22128785
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate
SMILESO=C(Nc1ccccn1)OCc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H29N3O3/c33-29(32-28-7-3-4-15-31-28)35-19-21-8-12-24(13-9-21)26-14-16-30-18-27(26)34-20-22-10-11-23-5-1-2-6-25(23)17-22/h1-13,15,17,26-27,30H,14,16,18-20H2,(H,31,32,33)
InChIKeyCMISXTRCFSMRJL-UHFFFAOYSA-N
XLogP5.65
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-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 [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate?
The IUPAC name of [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate (CID 22128785) is [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate.
What is the SMILES notation for [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate?
The canonical SMILES for [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate is O=C(Nc1ccccn1)OCc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate?
The InChIKey is CMISXTRCFSMRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c33-29(32-28-7-3-4-15-31-28)35-19-21-8-12-24(13-9-21)26-14-16-30-18-27(26)34-20-22-10-11-23-5-1-2-6-25(23)17-22/h1-13,15,17,26-27,30H,14,16,18-20H2,(H,31,32,33).
What are the key properties of [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate?
[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate has a molecular weight of 467.57 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate is sourced from PubChem (CID 22128785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).