N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide

C12H21N3O4 — CID 83099010

IUPACN-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)CC1COCCN1
InChIInChI=1S/C12H21N3O4/c1-13-12(17)10-8-19-5-3-15(10)11(16)6-9-7-18-4-2-14-9/h9-10,14H,2-8H2,1H3,(H,13,17)
InChIKeyVFKFUUCYRCZDFE-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.66
Rot. Bonds3

About N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide

N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide (PubChem CID 83099010) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide
PubChem CID83099010
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC NameN-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)CC1COCCN1
InChIInChI=1S/C12H21N3O4/c1-13-12(17)10-8-19-5-3-15(10)11(16)6-9-7-18-4-2-14-9/h9-10,14H,2-8H2,1H3,(H,13,17)
InChIKeyVFKFUUCYRCZDFE-UHFFFAOYSA-N
XLogP-1.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(2-piperidin-2-ylacetyl)morpholine-3-carboxamide
CID 83100626
1-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-3-ylethanone
CID 106774293
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
N-methyl-4-(2-piperidin-4-ylsulfanylacetyl)morpholine-3-carboxamide
CID 114627973
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 83096851
N-cyclopropyl-4-(2-piperidin-2-ylacetyl)morpholine-3-carboxamide
CID 83102457
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
4-[2-(4-aminopiperidin-1-yl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83099577
4-(2-morpholin-3-ylacetyl)thiomorpholine-3-carboxylic acid
CID 82904512
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 104678605

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide?
The IUPAC name of N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide (CID 83099010) is N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide?
The canonical SMILES for N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)CC1COCCN1.
What is the InChIKey of N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide?
The InChIKey is VFKFUUCYRCZDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-13-12(17)10-8-19-5-3-15(10)11(16)6-9-7-18-4-2-14-9/h9-10,14H,2-8H2,1H3,(H,13,17).
What are the key properties of N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide?
N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of -1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide is sourced from PubChem (CID 83099010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).