(2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide

C15H25N3O4 — CID 95839624

IUPAC(2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)C2CCN(C(C)=O)CC2)CCO1
InChIInChI=1S/C15H25N3O4/c1-11(19)17-6-4-12(5-7-17)13(20)18-8-9-22-15(2,10-18)14(21)16-3/h12H,4-10H2,1-3H3,(H,16,21)/t15-/m0/s1
InChIKeyRJHLITFMWGOAKM-HNNXBMFYSA-N
MW311.38 g/mol
LogP-0.39
Rot. Bonds2

About (2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide

(2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 95839624) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
PubChem CID95839624
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)C2CCN(C(C)=O)CC2)CCO1
InChIInChI=1S/C15H25N3O4/c1-11(19)17-6-4-12(5-7-17)13(20)18-8-9-22-15(2,10-18)14(21)16-3/h12H,4-10H2,1-3H3,(H,16,21)/t15-/m0/s1
InChIKeyRJHLITFMWGOAKM-HNNXBMFYSA-N
XLogP-0.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,2-dimethyl-4-[2-(4-methylpiperidin-1-yl)acetyl]morpholine-2-carboxamide
CID 124998027
(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide
CID 124986827
4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid
CID 110106954
2-methyl-4-(piperidine-4-carbonyl)morpholine-2-carboxamide
CID 73439530
N,2-dimethyl-4-(oxan-4-yl)morpholine-2-carboxamide
CID 110268322
(2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124955601
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815552
1-[2-methyl-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 110094675
N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide
CID 110106963
(2R)-N,2-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 124976279
(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 95839493
4-acetyl-2-methyl-N-(2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 110094654

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide (CID 95839624) is (2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide is CNC(=O)[C@]1(C)CN(C(=O)C2CCN(C(C)=O)CC2)CCO1.
What is the InChIKey of (2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is RJHLITFMWGOAKM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-11(19)17-6-4-12(5-7-17)13(20)18-8-9-22-15(2,10-18)14(21)16-3/h12H,4-10H2,1-3H3,(H,16,21)/t15-/m0/s1.
What are the key properties of (2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide?
(2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1-acetylpiperidine-4-carbonyl)-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 95839624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).