[1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

C22H24N2O3 — CID 139647207

IUPAC[1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(CCc3ccc4ncoc4c3)CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-26-19-5-3-17(4-6-19)22(25)18-9-12-24(13-10-18)11-8-16-2-7-20-21(14-16)27-15-23-20/h2-7,14-15,18H,8-13H2,1H3
InChIKeyPZCIFOXXGGZVLY-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.97
Rot. Bonds6

About [1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 139647207) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID139647207
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(CCc3ccc4ncoc4c3)CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-26-19-5-3-17(4-6-19)22(25)18-9-12-24(13-10-18)11-8-16-2-7-20-21(14-16)27-15-23-20/h2-7,14-15,18H,8-13H2,1H3
InChIKeyPZCIFOXXGGZVLY-UHFFFAOYSA-N
XLogP3.97
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)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

[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1,3-benzoxazol-6-yl)carbamate
CID 54027243
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 112840004
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxybenzoyl)piperidine-1-carbothioamide
CID 3223588
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 26042498
3-[4-(4-bromobenzoyl)piperidin-1-yl]propyl N-(1,3-benzoxazol-5-yl)carbamate
CID 54513018
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 139647207) is [1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(CCc3ccc4ncoc4c3)CC2)cc1.
What is the InChIKey of [1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is PZCIFOXXGGZVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-26-19-5-3-17(4-6-19)22(25)18-9-12-24(13-10-18)11-8-16-2-7-20-21(14-16)27-15-23-20/h2-7,14-15,18H,8-13H2,1H3.
What are the key properties of [1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 364.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1,3-benzoxazol-6-yl)ethyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 139647207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).