1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone

C23H34N4O4 — CID 110229079

IUPAC1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)c2cc(C3CCCN(C(=O)C4CCCCC4)C3)no2)CC1
InChIInChI=1S/C23H34N4O4/c1-17(28)25-11-6-12-26(14-13-25)23(30)21-15-20(24-31-21)19-9-5-10-27(16-19)22(29)18-7-3-2-4-8-18/h15,18-19H,2-14,16H2,1H3
InChIKeyFWTWWEDMFSZLEL-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.66
Rot. Bonds3

About 1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone

1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 110229079) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
PubChem CID110229079
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)c2cc(C3CCCN(C(=O)C4CCCCC4)C3)no2)CC1
InChIInChI=1S/C23H34N4O4/c1-17(28)25-11-6-12-26(14-13-25)23(30)21-15-20(24-31-21)19-9-5-10-27(16-19)22(29)18-7-3-2-4-8-18/h15,18-19H,2-14,16H2,1H3
InChIKeyFWTWWEDMFSZLEL-UHFFFAOYSA-N
XLogP2.66
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 110229083
3-[(3R)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 92581242
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-(2-methoxy-5-methylphenyl)-1,2-oxazole-5-carboxamide
CID 110229085
(3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 124962004
[3-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92568123
[3-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92599802
[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92577412
(3R)-1-[3-[1-(5-ethylthiophene-3-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide
CID 92588753
[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 92574813
pyrrolidin-1-yl-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228870
pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 92572169
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone (CID 110229079) is 1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(C(=O)c2cc(C3CCCN(C(=O)C4CCCCC4)C3)no2)CC1.
What is the InChIKey of 1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is FWTWWEDMFSZLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-17(28)25-11-6-12-26(14-13-25)23(30)21-15-20(24-31-21)19-9-5-10-27(16-19)22(29)18-7-3-2-4-8-18/h15,18-19H,2-14,16H2,1H3.
What are the key properties of 1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone?
1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 430.55 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,2-oxazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 110229079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).