4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide

C14H25N3O3 — CID 83098853

IUPAC4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C1CCCCCC1N
InChIInChI=1S/C14H25N3O3/c1-16-13(18)12-9-20-8-7-17(12)14(19)10-5-3-2-4-6-11(10)15/h10-12H,2-9,15H2,1H3,(H,16,18)
InChIKeyIXQTXSSDOOKFRF-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.13
Rot. Bonds2

About 4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide

4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83098853) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide
PubChem CID83098853
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C1CCCCCC1N
InChIInChI=1S/C14H25N3O3/c1-16-13(18)12-9-20-8-7-17(12)14(19)10-5-3-2-4-6-11(10)15/h10-12H,2-9,15H2,1H3,(H,16,18)
InChIKeyIXQTXSSDOOKFRF-UHFFFAOYSA-N
XLogP-0.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminocyclopentanecarbonyl)-N-methylpiperidine-2-carboxamide
CID 64824181
4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 83104998
4-(3-aminocyclopentanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83098008
4-(4-amino-3-methylcyclohexanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83104925
(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606
4-[4-(aminomethyl)cyclohexanecarbonyl]-N-methylmorpholine-3-carboxamide
CID 83099425
4-[4-(ethylamino)oxolane-3-carbonyl]-N-methylmorpholine-3-carboxamide
CID 83098007
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid
CID 83104302
4-[2-(4-aminopiperidin-1-yl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83099577
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide (CID 83098853) is 4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)C1CCCCCC1N.
What is the InChIKey of 4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is IXQTXSSDOOKFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-16-13(18)12-9-20-8-7-17(12)14(19)10-5-3-2-4-6-11(10)15/h10-12H,2-9,15H2,1H3,(H,16,18).
What are the key properties of 4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide?
4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83098853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).