2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide

C17H27N3O3 — CID 73139171

IUPAC2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1CCN(C(=O)N2CCOCC2)CC1CC
InChIInChI=1S/C17H27N3O3/c1-3-6-18-16(21)12-15-5-7-20(13-14(15)4-2)17(22)19-8-10-23-11-9-19/h1,14-15H,4-13H2,2H3,(H,18,21)
InChIKeyXLRXDJSAYRESET-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.93
Rot. Bonds4

About 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide

2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide (PubChem CID 73139171) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide
PubChem CID73139171
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CC1CCN(C(=O)N2CCOCC2)CC1CC
InChIInChI=1S/C17H27N3O3/c1-3-6-18-16(21)12-15-5-7-20(13-14(15)4-2)17(22)19-8-10-23-11-9-19/h1,14-15H,4-13H2,2H3,(H,18,21)
InChIKeyXLRXDJSAYRESET-UHFFFAOYSA-N
XLogP0.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]acetamide
CID 11912031
N-[2-(dimethylamino)ethyl]-2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]acetamide
CID 73138916
2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 73139173
2-(1-acetyl-3-ethylpiperidin-4-yl)-N-propylacetamide
CID 73139163
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 11913147
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide
CID 11912296
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 162806846
2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 11941189
2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 162966907
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]acetamide
CID 73139103
tert-butyl 4-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-1-carboxylate
CID 47451409
2-[3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 74576696

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide (CID 73139171) is 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide is C#CCNC(=O)CC1CCN(C(=O)N2CCOCC2)CC1CC.
What is the InChIKey of 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide?
The InChIKey is XLRXDJSAYRESET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-6-18-16(21)12-15-5-7-20(13-14(15)4-2)17(22)19-8-10-23-11-9-19/h1,14-15H,4-13H2,2H3,(H,18,21).
What are the key properties of 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide?
2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide has a molecular weight of 321.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 73139171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).