(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide

C15H26N2O3 — CID 124986827

IUPAC(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@](C)(C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-12(18)17-9-10-20-15(2,11-17)14(19)16-13-7-5-3-4-6-8-13/h13H,3-11H2,1-2H3,(H,16,19)/t15-/m0/s1
InChIKeyOBIWQSYVEXLTGH-HNNXBMFYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds2

About (2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide

(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide (PubChem CID 124986827) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide
PubChem CID124986827
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@](C)(C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-12(18)17-9-10-20-15(2,11-17)14(19)16-13-7-5-3-4-6-8-13/h13H,3-11H2,1-2H3,(H,16,19)/t15-/m0/s1
InChIKeyOBIWQSYVEXLTGH-HNNXBMFYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide
CID 92632665
(2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide
CID 92632600
(2R)-N-cyclopentyl-2-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)morpholine-2-carboxamide
CID 92632661
4-acetyl-2-methyl-N-(2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 110094654
(2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 95839624
(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 124968264
1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 110094675
2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
CID 108508318
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide
CID 108944903
(2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide
CID 125012356
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596

Frequently Asked Questions

What is the IUPAC name of (2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide (CID 124986827) is (2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide is CC(=O)N1CCO[C@](C)(C(=O)NC2CCCCCC2)C1.
What is the InChIKey of (2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide?
The InChIKey is OBIWQSYVEXLTGH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(18)17-9-10-20-15(2,11-17)14(19)16-13-7-5-3-4-6-8-13/h13H,3-11H2,1-2H3,(H,16,19)/t15-/m0/s1.
What are the key properties of (2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide?
(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 124986827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).