1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide

C21H23N3O4 — CID 91253088

IUPAC1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1
InChIInChI=1S/C21H23N3O4/c22-20(25)15-9-11-24(12-10-15)13-14-26-16-5-7-17(8-6-16)27-21-23-18-3-1-2-4-19(18)28-21/h1-8,15H,9-14H2,(H2,22,25)
InChIKeyLMKQANQFCXLBPF-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.20
Rot. Bonds7

About 1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide

1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide (PubChem CID 91253088) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide
PubChem CID91253088
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1
InChIInChI=1S/C21H23N3O4/c22-20(25)15-9-11-24(12-10-15)13-14-26-16-5-7-17(8-6-16)27-21-23-18-3-1-2-4-19(18)28-21/h1-8,15H,9-14H2,(H2,22,25)
InChIKeyLMKQANQFCXLBPF-UHFFFAOYSA-N
XLogP3.20
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperazine-1-carbonyl]benzoic acid
CID 90958847
1-[1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]pyrrolidine-2-thione
CID 91454785
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
CID 9443132
2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole
CID 11393104
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-N-(cyclohexylmethyl)ethanamine
CID 67302482
4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine
CID 91530142
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
3-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl-cyclobutylamino]propanoic acid
CID 91530631
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
N-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]-N-(3-pyrrol-1-ylpropyl)cyclopropanamine
CID 91049674
1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide
CID 9442914
2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
CID 61395477

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide (CID 91253088) is 1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide?
The InChIKey is LMKQANQFCXLBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c22-20(25)15-9-11-24(12-10-15)13-14-26-16-5-7-17(8-6-16)27-21-23-18-3-1-2-4-19(18)28-21/h1-8,15H,9-14H2,(H2,22,25).
What are the key properties of 1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide?
1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 91253088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).