4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide

C13H23N3O2 — CID 83099471

IUPAC4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(CC)CC#N
InChIInChI=1S/C13H23N3O2/c1-3-7-15-13(17)12-10-18-9-8-16(12)11(4-2)5-6-14/h11-12H,3-5,7-10H2,1-2H3,(H,15,17)
InChIKeyWYPKHMZBLKKUBY-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.91
Rot. Bonds6

About 4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide

4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide (PubChem CID 83099471) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide
PubChem CID83099471
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(CC)CC#N
InChIInChI=1S/C13H23N3O2/c1-3-7-15-13(17)12-10-18-9-8-16(12)11(4-2)5-6-14/h11-12H,3-5,7-10H2,1-2H3,(H,15,17)
InChIKeyWYPKHMZBLKKUBY-UHFFFAOYSA-N
XLogP0.91
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide
CID 83103248
4-[2-(cyanomethylamino)-2-oxoacetyl]-N-propylmorpholine-3-carboxamide
CID 83097670
3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid
CID 114242234
4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106656
4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide
CID 83096710
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide
CID 83106233
4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106097
4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide
CID 83096887
2-[3-(ethylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83099705
4-(2-amino-1-pyridin-4-ylethyl)-N-propylmorpholine-3-carboxamide
CID 83097966

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide (CID 83099471) is 4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1C(CC)CC#N.
What is the InChIKey of 4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide?
The InChIKey is WYPKHMZBLKKUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-7-15-13(17)12-10-18-9-8-16(12)11(4-2)5-6-14/h11-12H,3-5,7-10H2,1-2H3,(H,15,17).
What are the key properties of 4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide?
4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83099471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).