4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide

C20H26N4O3 — CID 110813129

IUPAC4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(Cc1ccc2ncoc2c1)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H26N4O3/c25-19(13-15-6-7-17-18(12-15)27-14-21-17)23-8-10-24(11-9-23)20(26)22-16-4-2-1-3-5-16/h6-7,12,14,16H,1-5,8-11,13H2,(H,22,26)
InChIKeyLMZAPLYNZBWYCU-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.56
Rot. Bonds3

About 4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide

4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 110813129) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
PubChem CID110813129
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(Cc1ccc2ncoc2c1)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H26N4O3/c25-19(13-15-6-7-17-18(12-15)27-14-21-17)23-8-10-24(11-9-23)20(26)22-16-4-2-1-3-5-16/h6-7,12,14,16H,1-5,8-11,13H2,(H,22,26)
InChIKeyLMZAPLYNZBWYCU-UHFFFAOYSA-N
XLogP2.56
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-6-yl)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 110801713
N-cyclopentyl-4-[2-(2-methyl-1,3-benzoxazol-5-yl)acetyl]piperazine-1-carboxamide
CID 110813196
ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate
CID 110771796
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813829
2-(1,3-benzoxazol-5-yl)-N-cyclopentylacetamide
CID 162432742
2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 110771791
N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 110771800
2-(1,3-benzoxazol-6-yl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110802161
2-(1,3-benzoxazol-6-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110771798
N-cyclopentyl-4-[2-(4-methylsulfanylphenyl)acetyl]piperazine-1-carboxamide
CID 110813116

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide (CID 110813129) is 4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide is O=C(Cc1ccc2ncoc2c1)N1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is LMZAPLYNZBWYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-19(13-15-6-7-17-18(12-15)27-14-21-17)23-8-10-24(11-9-23)20(26)22-16-4-2-1-3-5-16/h6-7,12,14,16H,1-5,8-11,13H2,(H,22,26).
What are the key properties of 4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide?
4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 110813129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).