4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide

C13H23N3O3 — CID 83095299

IUPAC4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide
SMILESNCC1CCCC(C(=O)N2CCOCC2C(N)=O)C1
InChIInChI=1S/C13H23N3O3/c14-7-9-2-1-3-10(6-9)13(18)16-4-5-19-8-11(16)12(15)17/h9-11H,1-8,14H2,(H2,15,17)
InChIKeyGSKRPSGKHAZIJD-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.54
Rot. Bonds3

About 4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide

4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide (PubChem CID 83095299) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide
PubChem CID83095299
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide
SMILESNCC1CCCC(C(=O)N2CCOCC2C(N)=O)C1
InChIInChI=1S/C13H23N3O3/c14-7-9-2-1-3-10(6-9)13(18)16-4-5-19-8-11(16)12(15)17/h9-11H,1-8,14H2,(H2,15,17)
InChIKeyGSKRPSGKHAZIJD-UHFFFAOYSA-N
XLogP-0.54
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide
CID 83095670
1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide
CID 62806919
4-[3-(3-aminocyclohexyl)propanoyl]morpholine-3-carboxamide
CID 83096617
4-[4-(aminomethyl)cyclohexanecarbonyl]-N-methylmorpholine-3-carboxamide
CID 83099425
4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide
CID 83101702
[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 124866912
4-(5-oxopyrrolidine-3-carbonyl)morpholine-3-carboxamide
CID 83093489
4-(piperidine-2-carbonyl)morpholine-3-carboxamide
CID 83101241
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
4-[2-(aminomethyl)cyclopentyl]morpholine-3-carboxamide
CID 83101214
cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98549374
4-(3-aminocyclopentanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83098008

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide?
The IUPAC name of 4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide (CID 83095299) is 4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide is NCC1CCCC(C(=O)N2CCOCC2C(N)=O)C1.
What is the InChIKey of 4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide?
The InChIKey is GSKRPSGKHAZIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c14-7-9-2-1-3-10(6-9)13(18)16-4-5-19-8-11(16)12(15)17/h9-11H,1-8,14H2,(H2,15,17).
What are the key properties of 4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide?
4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).