3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate

C29H26N3O5- — CID 22126356

IUPAC3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate
SMILESO=C(Nc1ccccn1)Oc1ccc(C2CCN(C(=O)[O-])CC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H27N3O5/c33-28(31-27-7-3-4-15-30-27)37-24-12-10-22(11-13-24)25-14-16-32(29(34)35)18-26(25)36-19-20-8-9-21-5-1-2-6-23(21)17-20/h1-13,15,17,25-26H,14,16,18-19H2,(H,34,35)(H,30,31,33)/p-1
InChIKeyKBKGNPFNQYJEOJ-UHFFFAOYSA-M
MW496.54 g/mol
LogP4.56
Rot. Bonds6

About 3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate

3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate (PubChem CID 22126356) has the molecular formula C29H26N3O5- and a molecular weight of 496.54 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate
PubChem CID22126356
Molecular FormulaC29H26N3O5-
Molecular Weight496.54 g/mol
Exact Mass496.19
IUPAC Name3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate
SMILESO=C(Nc1ccccn1)Oc1ccc(C2CCN(C(=O)[O-])CC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H27N3O5/c33-28(31-27-7-3-4-15-30-27)37-24-12-10-22(11-13-24)25-14-16-32(29(34)35)18-26(25)36-19-20-8-9-21-5-1-2-6-23(21)17-20/h1-13,15,17,25-26H,14,16,18-19H2,(H,34,35)(H,30,31,33)/p-1
InChIKeyKBKGNPFNQYJEOJ-UHFFFAOYSA-M
XLogP4.56
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylate
CID 22128353
3-(naphthalen-2-ylmethoxy)-4-[3-[3-(pyridin-2-ylcarbamoyloxy)propoxy]phenyl]piperidine-1-carboxylic acid
CID 22128891
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
CID 22128190
4-[4-[2-(benzenesulfonyl)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22127382
4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128440
[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl N-pyridin-2-ylcarbamate
CID 22128785
4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128032
3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
CID 22128644
4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128531
4-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
CID 22128667
4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[6-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128128
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine-1-carboxylic acid
CID 22126829

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate?
The IUPAC name of 3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate (CID 22126356) is 3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for 3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate?
The canonical SMILES for 3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate is O=C(Nc1ccccn1)Oc1ccc(C2CCN(C(=O)[O-])CC2OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate?
The InChIKey is KBKGNPFNQYJEOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H27N3O5/c33-28(31-27-7-3-4-15-30-27)37-24-12-10-22(11-13-24)25-14-16-32(29(34)35)18-26(25)36-19-20-8-9-21-5-1-2-6-23(21)17-20/h1-13,15,17,25-26H,14,16,18-19H2,(H,34,35)(H,30,31,33)/p-1.
What are the key properties of 3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate?
3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate has a molecular weight of 496.54 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 22126356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).