[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

C27H36N2O2 — CID 25372785

IUPAC[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESC[C@H](CCN1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H36N2O2/c1-22(23-8-4-2-5-9-23)14-19-28-20-15-26(16-21-28)31-25-12-10-24(11-13-25)27(30)29-17-6-3-7-18-29/h2,4-5,8-13,22,26H,3,6-7,14-21H2,1H3/t22-/m1/s1
InChIKeyXXAFNNROTBTCNL-JOCHJYFZSA-N
MW420.60 g/mol
LogP5.35
Rot. Bonds7

About [4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (PubChem CID 25372785) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is [4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
PubChem CID25372785
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESC[C@H](CCN1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H36N2O2/c1-22(23-8-4-2-5-9-23)14-19-28-20-15-26(16-21-28)31-25-12-10-24(11-13-25)27(30)29-17-6-3-7-18-29/h2,4-5,8-13,22,26H,3,6-7,14-21H2,1H3/t22-/m1/s1
InChIKeyXXAFNNROTBTCNL-JOCHJYFZSA-N
XLogP5.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25446255
[4-methoxy-2-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26409730
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060
methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
CID 25385977
[3-(methoxymethyl)piperidin-1-yl]-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 45244683
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 24790458
[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42512447
[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72874168
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide
CID 45232215
1-(4-cyclobutyloxybenzoyl)pyrrolidine-3-carboxylic acid
CID 119354149

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (CID 25372785) is [4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is C[C@H](CCN1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1)c1ccccc1.
What is the InChIKey of [4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The InChIKey is XXAFNNROTBTCNL-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-22(23-8-4-2-5-9-23)14-19-28-20-15-26(16-21-28)31-25-12-10-24(11-13-25)27(30)29-17-6-3-7-18-29/h2,4-5,8-13,22,26H,3,6-7,14-21H2,1H3/t22-/m1/s1.
What are the key properties of [4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone has a molecular weight of 420.60 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 25372785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).