4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

C33H32NO6- — CID 22128531

IUPAC4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
SMILESCOc1ccccc1C(=O)OCCc1ccc(C2CCN(C(=O)[O-])CC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C33H33NO6/c1-38-30-9-5-4-8-29(30)32(35)39-19-17-23-10-14-26(15-11-23)28-16-18-34(33(36)37)21-31(28)40-22-24-12-13-25-6-2-3-7-27(25)20-24/h2-15,20,28,31H,16-19,21-22H2,1H3,(H,36,37)/p-1
InChIKeyPCNXHCCXCSUDIG-UHFFFAOYSA-M
MW538.62 g/mol
LogP4.97
Rot. Bonds9

About 4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate (PubChem CID 22128531) has the molecular formula C33H32NO6- and a molecular weight of 538.62 g/mol. Its IUPAC name is 4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
PubChem CID22128531
Molecular FormulaC33H32NO6-
Molecular Weight538.62 g/mol
Exact Mass538.22
IUPAC Name4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
SMILESCOc1ccccc1C(=O)OCCc1ccc(C2CCN(C(=O)[O-])CC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C33H33NO6/c1-38-30-9-5-4-8-29(30)32(35)39-19-17-23-10-14-26(15-11-23)28-16-18-34(33(36)37)21-31(28)40-22-24-12-13-25-6-2-3-7-27(25)20-24/h2-15,20,28,31H,16-19,21-22H2,1H3,(H,36,37)/p-1
InChIKeyPCNXHCCXCSUDIG-UHFFFAOYSA-M
XLogP4.97
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128032
tert-butyl 4-[4-[2-(3-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 54301673
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylate
CID 22128353
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
CID 22128190
4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126819
4-[4-[2-(benzenesulfonyl)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22127382
tert-butyl 4-[4-[2-(4-methoxybenzoyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 86604407
4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128440
benzoyl chloride;tert-butyl 4-[4-(3-benzoyloxypropyl)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 159062385
3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate
CID 22126356
4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22127874
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-(2-methoxyphenoxy)propoxy]phenyl]piperidine-1-carboxylate
CID 22127310

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
The IUPAC name of 4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate (CID 22128531) is 4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate.
What is the SMILES notation for 4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
The canonical SMILES for 4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate is COc1ccccc1C(=O)OCCc1ccc(C2CCN(C(=O)[O-])CC2OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
The InChIKey is PCNXHCCXCSUDIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H33NO6/c1-38-30-9-5-4-8-29(30)32(35)39-19-17-23-10-14-26(15-11-23)28-16-18-34(33(36)37)21-31(28)40-22-24-12-13-25-6-2-3-7-27(25)20-24/h2-15,20,28,31H,16-19,21-22H2,1H3,(H,36,37)/p-1.
What are the key properties of 4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate has a molecular weight of 538.62 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 22128531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).