(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide

C15H27N3O3 — CID 124968264

IUPAC(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@](C)(C(=O)NCCCN2CCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-13(19)18-10-11-21-15(2,12-18)14(20)16-6-5-9-17-7-3-4-8-17/h3-12H2,1-2H3,(H,16,20)/t15-/m0/s1
InChIKeyIZPDKEWUYVCFAW-HNNXBMFYSA-N
MW297.40 g/mol
LogP0.23
Rot. Bonds5

About (2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide

(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide (PubChem CID 124968264) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
PubChem CID124968264
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@](C)(C(=O)NCCCN2CCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-13(19)18-10-11-21-15(2,12-18)14(20)16-6-5-9-17-7-3-4-8-17/h3-12H2,1-2H3,(H,16,20)/t15-/m0/s1
InChIKeyIZPDKEWUYVCFAW-HNNXBMFYSA-N
XLogP0.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-2-methyl-N-(2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 110094654
(2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide
CID 125022537
(2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide
CID 125012356
4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
CID 110094656
1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide
CID 125437379
(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide
CID 124986827
4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 70985347
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide
CID 87002663
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267

Frequently Asked Questions

What is the IUPAC name of (2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide (CID 124968264) is (2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide is CC(=O)N1CCO[C@](C)(C(=O)NCCCN2CCCC2)C1.
What is the InChIKey of (2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide?
The InChIKey is IZPDKEWUYVCFAW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-13(19)18-10-11-21-15(2,12-18)14(20)16-6-5-9-17-7-3-4-8-17/h3-12H2,1-2H3,(H,16,20)/t15-/m0/s1.
What are the key properties of (2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide?
(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide is sourced from PubChem (CID 124968264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).