4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide

C16H27N3O2 — CID 83098486

IUPAC4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide
SMILESCCCC1CCC(C#N)C(N2CCOCC2C(=O)NC)C1
InChIInChI=1S/C16H27N3O2/c1-3-4-12-5-6-13(10-17)14(9-12)19-7-8-21-11-15(19)16(20)18-2/h12-15H,3-9,11H2,1-2H3,(H,18,20)
InChIKeyKUMRSHFLYTWPTG-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.54
Rot. Bonds4

About 4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide

4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83098486) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide
PubChem CID83098486
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide
SMILESCCCC1CCC(C#N)C(N2CCOCC2C(=O)NC)C1
InChIInChI=1S/C16H27N3O2/c1-3-4-12-5-6-13(10-17)14(9-12)19-7-8-21-11-15(19)16(20)18-2/h12-15H,3-9,11H2,1-2H3,(H,18,20)
InChIKeyKUMRSHFLYTWPTG-UHFFFAOYSA-N
XLogP1.54
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83096714
4-(2-cyanocyclohexyl)-N-ethylmorpholine-3-carboxamide
CID 83097101
methyl 4-[2-(aminomethyl)-5-propylcyclohexyl]morpholine-3-carboxylate
CID 104774503
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716
2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 61441188
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-(2-cyanocycloheptyl)morpholine-3-carboxamide
CID 83102320
2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile
CID 43585983
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
2-hydroxy-4-propylcyclohexane-1-carbonitrile
CID 43292878
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-propylcyclohexane-1-carbonitrile
CID 63151145

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide (CID 83098486) is 4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide is CCCC1CCC(C#N)C(N2CCOCC2C(=O)NC)C1.
What is the InChIKey of 4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is KUMRSHFLYTWPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-4-12-5-6-13(10-17)14(9-12)19-7-8-21-11-15(19)16(20)18-2/h12-15H,3-9,11H2,1-2H3,(H,18,20).
What are the key properties of 4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide?
4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83098486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).