methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate

C27H34N2O4 — CID 25385977

IUPACmethyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C27H34N2O4/c1-32-27(31)23-12-19-29(20-13-23)26(30)22-7-9-24(10-8-22)33-25-14-17-28(18-15-25)16-11-21-5-3-2-4-6-21/h2-10,23,25H,11-20H2,1H3
InChIKeyIJPCNCVPDQOCSX-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.80
Rot. Bonds7

About methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate

methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate (PubChem CID 25385977) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
PubChem CID25385977
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Namemethyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C27H34N2O4/c1-32-27(31)23-12-19-29(20-13-23)26(30)22-7-9-24(10-8-22)33-25-14-17-28(18-15-25)16-11-21-5-3-2-4-6-21/h2-10,23,25H,11-20H2,1H3
InChIKeyIJPCNCVPDQOCSX-UHFFFAOYSA-N
XLogP3.80
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate with MolForge

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Related Compounds

[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060
[3-(methoxymethyl)piperidin-1-yl]-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 45244683
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 26326622
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 25301725
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide
CID 42527447
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 97284497
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide
CID 25366070
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291
[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25372785
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate (CID 25385977) is methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1.
What is the InChIKey of methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate?
The InChIKey is IJPCNCVPDQOCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-32-27(31)23-12-19-29(20-13-23)26(30)22-7-9-24(10-8-22)33-25-14-17-28(18-15-25)16-11-21-5-3-2-4-6-21/h2-10,23,25H,11-20H2,1H3.
What are the key properties of methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate?
methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate has a molecular weight of 450.58 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 25385977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).