4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide

C15H27N3O3 — CID 104678605

IUPAC4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H27N3O3/c1-17-14(20)12-10-21-8-7-18(12)13(19)9-15(11-16)5-3-2-4-6-15/h12H,2-11,16H2,1H3,(H,17,20)
InChIKeyRICUHEWEKBKOPO-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.26
Rot. Bonds4

About 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide

4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide (PubChem CID 104678605) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide
PubChem CID104678605
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H27N3O3/c1-17-14(20)12-10-21-8-7-18(12)13(19)9-15(11-16)5-3-2-4-6-15/h12H,2-11,16H2,1H3,(H,17,20)
InChIKeyRICUHEWEKBKOPO-UHFFFAOYSA-N
XLogP0.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 83096851
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide
CID 104678604
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide
CID 83099020
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide
CID 83099010
4-[2-(4-aminopiperidin-1-yl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83099577
4-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylmorpholine-3-carboxamide
CID 83104870
1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide
CID 104677512
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665
(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid
CID 103871056
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide (CID 104678605) is 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is RICUHEWEKBKOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17-14(20)12-10-21-8-7-18(12)13(19)9-15(11-16)5-3-2-4-6-15/h12H,2-11,16H2,1H3,(H,17,20).
What are the key properties of 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide?
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 104678605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).