bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone

C25H32N2O3 — CID 56983177

IUPACbis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
SMILESCN1CCC(Oc2ccc(C(=O)c3ccc(OC4CCN(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C25H32N2O3/c1-26-15-11-23(12-16-26)29-21-7-3-19(4-8-21)25(28)20-5-9-22(10-6-20)30-24-13-17-27(2)18-14-24/h3-10,23-24H,11-18H2,1-2H3
InChIKeyILEBDPBKKBRZJZ-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.86
Rot. Bonds6

About bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone

bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone (PubChem CID 56983177) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone.

Molecular Properties

Compound Namebis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
PubChem CID56983177
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Namebis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
SMILESCN1CCC(Oc2ccc(C(=O)c3ccc(OC4CCN(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C25H32N2O3/c1-26-15-11-23(12-16-26)29-21-7-3-19(4-8-21)25(28)20-5-9-22(10-6-20)30-24-13-17-27(2)18-14-24/h3-10,23-24H,11-18H2,1-2H3
InChIKeyILEBDPBKKBRZJZ-UHFFFAOYSA-N
XLogP3.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate
CID 162773529
4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
CID 117488545
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 55153382
ethane;4-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenoxy]-1-methylpiperidine
CID 143692371
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085
4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine
CID 18723191

Frequently Asked Questions

What is the IUPAC name of bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone?
The IUPAC name of bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone (CID 56983177) is bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone.
What is the SMILES notation for bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone?
The canonical SMILES for bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone is CN1CCC(Oc2ccc(C(=O)c3ccc(OC4CCN(C)CC4)cc3)cc2)CC1.
What is the InChIKey of bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone?
The InChIKey is ILEBDPBKKBRZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-26-15-11-23(12-16-26)29-21-7-3-19(4-8-21)25(28)20-5-9-22(10-6-20)30-24-13-17-27(2)18-14-24/h3-10,23-24H,11-18H2,1-2H3.
What are the key properties of bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone?
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone has a molecular weight of 408.54 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone is sourced from PubChem (CID 56983177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).