cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone

C17H28N2O3 — CID 94154419

IUPACcyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C2CCCCC2)CCO1
InChIInChI=1S/C17H28N2O3/c1-13-12-18(10-11-22-13)17(21)15-8-5-9-19(15)16(20)14-6-3-2-4-7-14/h13-15H,2-12H2,1H3/t13-,15-/m1/s1
InChIKeyGTEAAZMLPDYAQQ-UKRRQHHQSA-N
MW308.42 g/mol
LogP1.80
Rot. Bonds2

About cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone

cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone (PubChem CID 94154419) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone
PubChem CID94154419
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Namecyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C2CCCCC2)CCO1
InChIInChI=1S/C17H28N2O3/c1-13-12-18(10-11-22-13)17(21)15-8-5-9-19(15)16(20)14-6-3-2-4-7-14/h13-15H,2-12H2,1H3/t13-,15-/m1/s1
InChIKeyGTEAAZMLPDYAQQ-UKRRQHHQSA-N
XLogP1.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 43355899
(3R)-1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81126746
cyclohexyl-[2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyrrolidin-1-yl]methanone
CID 47914816
cyclopropyl-[2-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55177817
1-[4-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-4-methylpentan-1-one
CID 55921479
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2-methylmorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119698701

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone (CID 94154419) is cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone is C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C2CCCCC2)CCO1.
What is the InChIKey of cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone?
The InChIKey is GTEAAZMLPDYAQQ-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13-12-18(10-11-22-13)17(21)15-8-5-9-19(15)16(20)14-6-3-2-4-7-14/h13-15H,2-12H2,1H3/t13-,15-/m1/s1.
What are the key properties of cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone?
cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone has a molecular weight of 308.42 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R)-2-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 94154419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).