4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid

C13H21NO4 — CID 63783007

IUPAC4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCOCC2)CC1
InChIInChI=1S/C13H21NO4/c15-12(14-6-1-8-18-9-7-14)10-2-4-11(5-3-10)13(16)17/h10-11H,1-9H2,(H,16,17)
InChIKeyQYCPLHOEUMPJKH-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.13
Rot. Bonds2

About 4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid

4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63783007) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63783007
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCOCC2)CC1
InChIInChI=1S/C13H21NO4/c15-12(14-6-1-8-18-9-7-14)10-2-4-11(5-3-10)13(16)17/h10-11H,1-9H2,(H,16,17)
InChIKeyQYCPLHOEUMPJKH-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672794
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493390
2,2-dimethyl-3-(1,4-oxazepane-4-carbonyl)cyclopropane-1-carboxylic acid
CID 64834867
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
4-(4-hydroxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782265
(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone
CID 110849366

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid (CID 63783007) is 4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCCOCC2)CC1.
What is the InChIKey of 4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is QYCPLHOEUMPJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(14-6-1-8-18-9-7-14)10-2-4-11(5-3-10)13(16)17/h10-11H,1-9H2,(H,16,17).
What are the key properties of 4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid?
4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).