N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide

C22H22N4O3 — CID 150926418

IUPACN-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide
SMILESCc1cc(C#N)cc2nc(-c3ccc(NC(=O)COC4CCNCC4)cc3)oc12
InChIInChI=1S/C22H22N4O3/c1-14-10-15(12-23)11-19-21(14)29-22(26-19)16-2-4-17(5-3-16)25-20(27)13-28-18-6-8-24-9-7-18/h2-5,10-11,18,24H,6-9,13H2,1H3,(H,25,27)
InChIKeyLFCRMHVCMFQGLK-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.38
Rot. Bonds5

About N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide

N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide (PubChem CID 150926418) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide
PubChem CID150926418
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide
SMILESCc1cc(C#N)cc2nc(-c3ccc(NC(=O)COC4CCNCC4)cc3)oc12
InChIInChI=1S/C22H22N4O3/c1-14-10-15(12-23)11-19-21(14)29-22(26-19)16-2-4-17(5-3-16)25-20(27)13-28-18-6-8-24-9-7-18/h2-5,10-11,18,24H,6-9,13H2,1H3,(H,25,27)
InChIKeyLFCRMHVCMFQGLK-UHFFFAOYSA-N
XLogP3.38
TPSA100.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide with MolForge

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Related Compounds

4-[2-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)anilino]-2-oxoethoxy]piperidine-1-carboxylic acid
CID 91493916
methyl 4-[2-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)anilino]-2-oxoethoxy]piperidine-1-carboxylate
CID 53316825
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 53319415
tert-butyl 4-[2-[4-(5-cyano-7-formyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoxy]piperidine-1-carboxylate
CID 118900194
N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide
CID 63876197
N-[4-[5-cyano-7-(2-hydroxypent-3-yn-2-yl)-1,3-benzoxazol-2-yl]phenyl]-2-(2-methylphenoxy)acetamide
CID 46226909
N-(4-fluorophenyl)-2-piperidin-4-yloxyacetamide
CID 39062765
3-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enoic acid
CID 69082014
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1361277
4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide
CID 68745687
2-piperidin-4-yloxy-N-(4-propoxyphenyl)acetamide
CID 63876932
N-[3-(dimethylamino)-4-methylphenyl]-2-piperidin-4-yloxyacetamide
CID 115377256

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide (CID 150926418) is N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide is Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)COC4CCNCC4)cc3)oc12.
What is the InChIKey of N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide?
The InChIKey is LFCRMHVCMFQGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-10-15(12-23)11-19-21(14)29-22(26-19)16-2-4-17(5-3-16)25-20(27)13-28-18-6-8-24-9-7-18/h2-5,10-11,18,24H,6-9,13H2,1H3,(H,25,27).
What are the key properties of N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide?
N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide has a molecular weight of 390.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 150926418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).