4-(2-cyanocycloheptyl)morpholine-3-carboxamide

C13H21N3O2 — CID 83102320

IUPAC4-(2-cyanocycloheptyl)morpholine-3-carboxamide
SMILESN#CC1CCCCCC1N1CCOCC1C(N)=O
InChIInChI=1S/C13H21N3O2/c14-8-10-4-2-1-3-5-11(10)16-6-7-18-9-12(16)13(15)17/h10-12H,1-7,9H2,(H2,15,17)
InChIKeyQTGYVKVUFJXUCF-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.64
Rot. Bonds2

About 4-(2-cyanocycloheptyl)morpholine-3-carboxamide

4-(2-cyanocycloheptyl)morpholine-3-carboxamide (PubChem CID 83102320) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(2-cyanocycloheptyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-cyanocycloheptyl)morpholine-3-carboxamide
PubChem CID83102320
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(2-cyanocycloheptyl)morpholine-3-carboxamide
SMILESN#CC1CCCCCC1N1CCOCC1C(N)=O
InChIInChI=1S/C13H21N3O2/c14-8-10-4-2-1-3-5-11(10)16-6-7-18-9-12(16)13(15)17/h10-12H,1-7,9H2,(H2,15,17)
InChIKeyQTGYVKVUFJXUCF-UHFFFAOYSA-N
XLogP0.64
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyanocyclohexyl)-N-ethylmorpholine-3-carboxamide
CID 83097101
1-(2-cyanocyclopentyl)pyrrolidine-2-carboxamide
CID 43291855
4-[2-(aminomethyl)cyclopentyl]morpholine-3-carboxamide
CID 83101214
4-cyclopropylmorpholine-3-carboxamide
CID 67153953
4-(3-oxocyclopentyl)morpholine-3-carboxamide
CID 83096407
2-morpholin-4-ylcyclohexane-1-carbonitrile
CID 43291520
4-(2-cyano-5-methylcyclohexyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83096714
4-(3-aminocyclopentyl)morpholine-3-carboxamide
CID 83095575
methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate
CID 104774968
4-(cyanomethyl)morpholine-3-carboxamide
CID 83092724
4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide
CID 83098486
1-(2-cyanocyclopentyl)azetidine-3-carboxamide
CID 131048718

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanocycloheptyl)morpholine-3-carboxamide?
The IUPAC name of 4-(2-cyanocycloheptyl)morpholine-3-carboxamide (CID 83102320) is 4-(2-cyanocycloheptyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(2-cyanocycloheptyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(2-cyanocycloheptyl)morpholine-3-carboxamide is N#CC1CCCCCC1N1CCOCC1C(N)=O.
What is the InChIKey of 4-(2-cyanocycloheptyl)morpholine-3-carboxamide?
The InChIKey is QTGYVKVUFJXUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-8-10-4-2-1-3-5-11(10)16-6-7-18-9-12(16)13(15)17/h10-12H,1-7,9H2,(H2,15,17).
What are the key properties of 4-(2-cyanocycloheptyl)morpholine-3-carboxamide?
4-(2-cyanocycloheptyl)morpholine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanocycloheptyl)morpholine-3-carboxamide is sourced from PubChem (CID 83102320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).