[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone

C29H32N2O2 — CID 44529913

IUPAC[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(CN2CCOC(c3ccccc3)(c3ccccc3)C2)CC1
InChIInChI=1S/C29H32N2O2/c32-28(25-10-4-1-5-11-25)31-18-16-24(17-19-31)22-30-20-21-33-29(23-30,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24H,16-23H2
InChIKeyODJKJMZENGPOBZ-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.81
Rot. Bonds5

About [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone

[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone (PubChem CID 44529913) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone
PubChem CID44529913
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(CN2CCOC(c3ccccc3)(c3ccccc3)C2)CC1
InChIInChI=1S/C29H32N2O2/c32-28(25-10-4-1-5-11-25)31-18-16-24(17-19-31)22-30-20-21-33-29(23-30,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24H,16-23H2
InChIKeyODJKJMZENGPOBZ-UHFFFAOYSA-N
XLogP4.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-[(2R)-4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]-1,1-dimethylurea
CID 9916195
3-(1-(2-(4-Benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl)ethyl)-4-phenylpiperidin-4-yl)-1-dimethylurea
CID 9810217
3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one
CID 10693838
3-[1-[2-[(2R)-4-benzoyl-2-(3,4-difluorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]-1,1-dimethylurea;hydrochloride
CID 60196402
(2-Hydroxy-2,3-diphenylmorpholin-4-yl)(phenyl)methanone
CID 233554
Carbamic acid, [1-[[(3S,4S)-1-benzoyl-4-phenyl-3-pyrrolidinyl]methyl]-4-piperidinyl]ethyl-, phenylmethyl ester
CID 490013
[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 44528710
(4-Chlorophenyl)-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528727
[4-[(2,2-Diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 44529914
naphthalen-1-yl-[3-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 60168095
Benzoic acid (2S,3S)-2-benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl ester
CID 10572904
1,1'-[1,3-Phenylenedi(carbonyl)]bis(4-phenylpiperidin-4-ol)
CID 23723068

Frequently Asked Questions

What is the IUPAC name of [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone (CID 44529913) is [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(CN2CCOC(c3ccccc3)(c3ccccc3)C2)CC1.
What is the InChIKey of [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is ODJKJMZENGPOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c32-28(25-10-4-1-5-11-25)31-18-16-24(17-19-31)22-30-20-21-33-29(23-30,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,24H,16-23H2.
What are the key properties of [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone?
[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 440.59 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 44529913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).