4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide

C14H23N3O2 — CID 83096710

IUPAC4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1CC1(CC#N)CC1
InChIInChI=1S/C14H23N3O2/c1-2-7-16-13(18)12-10-19-9-8-17(12)11-14(3-4-14)5-6-15/h12H,2-5,7-11H2,1H3,(H,16,18)
InChIKeyWUHXZLDVZIBUFD-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.91
Rot. Bonds6

About 4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide

4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83096710) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide
PubChem CID83096710
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1CC1(CC#N)CC1
InChIInChI=1S/C14H23N3O2/c1-2-7-16-13(18)12-10-19-9-8-17(12)11-14(3-4-14)5-6-15/h12H,2-5,7-11H2,1H3,(H,16,18)
InChIKeyWUHXZLDVZIBUFD-UHFFFAOYSA-N
XLogP0.91
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(cyanomethylamino)-2-oxoacetyl]-N-propylmorpholine-3-carboxamide
CID 83097670
4-(1-cyanocyclopentanecarbonyl)-N-propylmorpholine-3-carboxamide
CID 83096887
4-[2-oxo-2-(oxolan-3-yl)ethyl]-N-propylmorpholine-3-carboxamide
CID 104751044
4-(2-cyclopentyl-2-oxoethyl)-N-propylmorpholine-3-carboxamide
CID 104751046
4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83102944
4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide
CID 83099471
4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
CID 83106517
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83097683
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-propylmorpholine-3-carboxamide
CID 83099020

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide (CID 83096710) is 4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1CC1(CC#N)CC1.
What is the InChIKey of 4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is WUHXZLDVZIBUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-7-16-13(18)12-10-19-9-8-17(12)11-14(3-4-14)5-6-15/h12H,2-5,7-11H2,1H3,(H,16,18).
What are the key properties of 4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide?
4-[[1-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 265.36 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-(cyanomethyl)cyclopropyl]methyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83096710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).