4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide

C15H23N3O3 — CID 83096887

IUPAC4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)C1(C#N)CCCC1
InChIInChI=1S/C15H23N3O3/c1-2-7-17-13(19)12-10-21-9-8-18(12)14(20)15(11-16)5-3-4-6-15/h12H,2-10H2,1H3,(H,17,19)
InChIKeyGGGNLCIFIYPSFV-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.82
Rot. Bonds4

About 4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide

4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide (PubChem CID 83096887) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide
PubChem CID83096887
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(=O)C1(C#N)CCCC1
InChIInChI=1S/C15H23N3O3/c1-2-7-17-13(19)12-10-21-9-8-18(12)14(20)15(11-16)5-3-4-6-15/h12H,2-10H2,1H3,(H,17,19)
InChIKeyGGGNLCIFIYPSFV-UHFFFAOYSA-N
XLogP0.82
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-cyanocyclobutanecarbonyl)morpholine-3-carboxylate
CID 104774578
4-[2-(cyanomethylamino)-2-oxoacetyl]-N-propylmorpholine-3-carboxamide
CID 83097670
4-(1-cyanocyclobutanecarbonyl)morpholine-3-carboxamide
CID 83102195
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
CID 83097059
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide
CID 83099020
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide
CID 83096710
4-[4-(methylamino)oxolane-3-carbonyl]-N-propylmorpholine-3-carboxamide
CID 83098017
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 83103065
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide (CID 83096887) is 4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1C(=O)C1(C#N)CCCC1.
What is the InChIKey of 4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide?
The InChIKey is GGGNLCIFIYPSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-7-17-13(19)12-10-21-9-8-18(12)14(20)15(11-16)5-3-4-6-15/h12H,2-10H2,1H3,(H,17,19).
What are the key properties of 4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide?
4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83096887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).