4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

C30H35N2O5- — CID 22128440

IUPAC4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2ccc(OCCCN3CCOCC3)cc2)C(OCc2ccc3ccccc3c2)C1
InChIInChI=1S/C30H36N2O5/c33-30(34)32-14-12-28(29(21-32)37-22-23-6-7-24-4-1-2-5-26(24)20-23)25-8-10-27(11-9-25)36-17-3-13-31-15-18-35-19-16-31/h1-2,4-11,20,28-29H,3,12-19,21-22H2,(H,33,34)/p-1
InChIKeyDSYKCTRABMVCRH-UHFFFAOYSA-M
MW503.62 g/mol
LogP3.66
Rot. Bonds9

About 4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate (PubChem CID 22128440) has the molecular formula C30H35N2O5- and a molecular weight of 503.62 g/mol. Its IUPAC name is 4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
PubChem CID22128440
Molecular FormulaC30H35N2O5-
Molecular Weight503.62 g/mol
Exact Mass503.26
IUPAC Name4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2ccc(OCCCN3CCOCC3)cc2)C(OCc2ccc3ccccc3c2)C1
InChIInChI=1S/C30H36N2O5/c33-30(34)32-14-12-28(29(21-32)37-22-23-6-7-24-4-1-2-5-26(24)20-23)25-8-10-27(11-9-25)36-17-3-13-31-15-18-35-19-16-31/h1-2,4-11,20,28-29H,3,12-19,21-22H2,(H,33,34)/p-1
InChIKeyDSYKCTRABMVCRH-UHFFFAOYSA-M
XLogP3.66
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.62
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
CID 22128190
4-[4-[2-(benzenesulfonyl)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22127382
3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
CID 22128644
4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128032
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
3-(naphthalen-2-ylmethoxy)-4-[4-(pyridin-2-ylcarbamoyloxy)phenyl]piperidine-1-carboxylate
CID 22126356
3-(1-benzothiophen-5-ylmethoxy)-4-[4-[3-(2-phenyl-1,3-dioxolan-2-yl)propoxy]phenyl]piperidine-1-carboxylate
CID 22128118
4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128531
tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[4-(4-phenylmethoxybutoxy)phenyl]piperidine-1-carboxylate
CID 54446458

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
The IUPAC name of 4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate (CID 22128440) is 4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate.
What is the SMILES notation for 4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
The canonical SMILES for 4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate is O=C([O-])N1CCC(c2ccc(OCCCN3CCOCC3)cc2)C(OCc2ccc3ccccc3c2)C1.
What is the InChIKey of 4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
The InChIKey is DSYKCTRABMVCRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H36N2O5/c33-30(34)32-14-12-28(29(21-32)37-22-23-6-7-24-4-1-2-5-26(24)20-23)25-8-10-27(11-9-25)36-17-3-13-31-15-18-35-19-16-31/h1-2,4-11,20,28-29H,3,12-19,21-22H2,(H,33,34)/p-1.
What are the key properties of 4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate has a molecular weight of 503.62 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 22128440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).