N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

C15H27N3O3 — CID 62660462

IUPACN-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C15H27N3O3/c1-4-18(9-14(20)16-12(2)3)15(21)10-17-7-5-6-13(8-17)11-19/h11-13H,4-10H2,1-3H3,(H,16,20)
InChIKeyHAXNBJRJUQRXIP-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.27
Rot. Bonds7

About N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 62660462) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
PubChem CID62660462
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C15H27N3O3/c1-4-18(9-14(20)16-12(2)3)15(21)10-17-7-5-6-13(8-17)11-19/h11-13H,4-10H2,1-3H3,(H,16,20)
InChIKeyHAXNBJRJUQRXIP-UHFFFAOYSA-N
XLogP0.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 63264164
2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 65249916
N-ethyl-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62655686
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperazin-1-ylacetamide
CID 43348706
2-(3-formylpiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 62656728
2-(3-formylpiperidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62655482
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-formylpiperidin-1-yl)acetamide
CID 62655122
2-(azetidin-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 64610759
2-(3-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62656575
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876
3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 62654927
1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde
CID 62654368

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (CID 62660462) is N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is CCN(CC(=O)NC(C)C)C(=O)CN1CCCC(C=O)C1.
What is the InChIKey of N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is HAXNBJRJUQRXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-18(9-14(20)16-12(2)3)15(21)10-17-7-5-6-13(8-17)11-19/h11-13H,4-10H2,1-3H3,(H,16,20).
What are the key properties of N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 62660462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).