4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid

C14H24N2O4 — CID 63127462

IUPAC4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCCOCC2)CC1
InChIInChI=1S/C14H24N2O4/c1-2-14(12(17)18)4-7-16(8-5-14)13(19)15-6-3-10-20-11-9-15/h2-11H2,1H3,(H,17,18)
InChIKeyFCHMEXJCXOAVOR-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.41
Rot. Bonds2

About 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid

4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63127462) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID63127462
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCCOCC2)CC1
InChIInChI=1S/C14H24N2O4/c1-2-14(12(17)18)4-7-16(8-5-14)13(19)15-6-3-10-20-11-9-15/h2-11H2,1H3,(H,17,18)
InChIKeyFCHMEXJCXOAVOR-UHFFFAOYSA-N
XLogP1.41
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
3-methyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63148214
2-ethyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 83071222
1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63127056
4-ethylazepane-1,4-dicarboxylic acid
CID 123426716
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
CID 154703363
(4,4-dimethylazepan-1-yl)-morpholin-4-ylmethanone
CID 113246114
3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 81204424
3-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146066
3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63145950
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 63548476

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid (CID 63127462) is 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N2CCCOCC2)CC1.
What is the InChIKey of 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is FCHMEXJCXOAVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-14(12(17)18)4-7-16(8-5-14)13(19)15-6-3-10-20-11-9-15/h2-11H2,1H3,(H,17,18).
What are the key properties of 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63127462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).