[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone

C25H35N3O3 — CID 91913465

IUPAC[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1noc(C)c1CN1CCCC(COc2ccccc2C(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C25H35N3O3/c1-18-10-13-28(14-11-18)25(29)22-8-4-5-9-24(22)30-17-21-7-6-12-27(15-21)16-23-19(2)26-31-20(23)3/h4-5,8-9,18,21H,6-7,10-17H2,1-3H3
InChIKeyMXZJFQQMCWIBTN-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.45
Rot. Bonds6

About [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone

[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 91913465) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID91913465
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1noc(C)c1CN1CCCC(COc2ccccc2C(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C25H35N3O3/c1-18-10-13-28(14-11-18)25(29)22-8-4-5-9-24(22)30-17-21-7-6-12-27(15-21)16-23-19(2)26-31-20(23)3/h4-5,8-9,18,21H,6-7,10-17H2,1-3H3
InChIKeyMXZJFQQMCWIBTN-UHFFFAOYSA-N
XLogP4.45
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 91913465) is [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone is Cc1noc(C)c1CN1CCCC(COc2ccccc2C(=O)N2CCC(C)CC2)C1.
What is the InChIKey of [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MXZJFQQMCWIBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-18-10-13-28(14-11-18)25(29)22-8-4-5-9-24(22)30-17-21-7-6-12-27(15-21)16-23-19(2)26-31-20(23)3/h4-5,8-9,18,21H,6-7,10-17H2,1-3H3.
What are the key properties of [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone?
[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 425.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91913465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).