2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone

C19H24ClN3O3 — CID 154565362

IUPAC2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCC(O)CC1
InChIInChI=1S/C19H24ClN3O3/c20-14-3-4-16-17(11-14)26-19(21-16)23-7-1-2-13(12-23)10-18(25)22-8-5-15(24)6-9-22/h3-4,11,13,15,24H,1-2,5-10,12H2
InChIKeyBXBYGJBUGZBDEZ-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.07
Rot. Bonds3

About 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 154565362) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID154565362
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCC(O)CC1
InChIInChI=1S/C19H24ClN3O3/c20-14-3-4-16-17(11-14)26-19(21-16)23-7-1-2-13(12-23)10-18(25)22-8-5-15(24)6-9-22/h3-4,11,13,15,24H,1-2,5-10,12H2
InChIKeyBXBYGJBUGZBDEZ-UHFFFAOYSA-N
XLogP3.07
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone 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

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone
CID 154571204
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(1,4-diazepan-1-yl)ethanone;dihydrochloride
CID 155939009
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]ethanone;dihydrochloride
CID 163333772
4-[2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]-1,4-diazepan-2-one
CID 154563403
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 154815842
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 154565157
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 154569018
ethyl 3-[[2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154563768
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide
CID 154821093
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-3-methylbutyl)-N-methylacetamide
CID 154567328
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide
CID 155499677
methyl 4-[[2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]butanoate
CID 155493792

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone (CID 154565362) is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone is O=C(CC1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCC(O)CC1.
What is the InChIKey of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is BXBYGJBUGZBDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c20-14-3-4-16-17(11-14)26-19(21-16)23-7-1-2-13(12-23)10-18(25)22-8-5-15(24)6-9-22/h3-4,11,13,15,24H,1-2,5-10,12H2.
What are the key properties of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 377.87 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 154565362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).