3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide

C11H20N2O3 — CID 124575480

IUPAC3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
SMILESCCOCCC(=O)N[C@H]1CCC(=O)N(C)C1
InChIInChI=1S/C11H20N2O3/c1-3-16-7-6-10(14)12-9-4-5-11(15)13(2)8-9/h9H,3-8H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyHFJSQSMMZWQSCQ-VIFPVBQESA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds5

About 3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide

3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide (PubChem CID 124575480) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
PubChem CID124575480
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
SMILESCCOCCC(=O)N[C@H]1CCC(=O)N(C)C1
InChIInChI=1S/C11H20N2O3/c1-3-16-7-6-10(14)12-9-4-5-11(15)13(2)8-9/h9H,3-8H2,1-2H3,(H,12,14)/t9-/m0/s1
InChIKeyHFJSQSMMZWQSCQ-VIFPVBQESA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
CID 106707504
3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 75494351
3-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
CID 64668234
N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide
CID 71994599
3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
4-(2-aminoethyl)-5-methyl-N-(1-methyl-6-oxopiperidin-3-yl)hexanamide
CID 64669409
methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate
CID 112617343
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494
N-(1-methyl-6-oxopiperidin-3-yl)-2-piperidin-4-yloxyacetamide
CID 64669415
3-benzylsulfanyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 135089627
4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64670248

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide?
The IUPAC name of 3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide (CID 124575480) is 3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide is CCOCCC(=O)N[C@H]1CCC(=O)N(C)C1.
What is the InChIKey of 3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide?
The InChIKey is HFJSQSMMZWQSCQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-16-7-6-10(14)12-9-4-5-11(15)13(2)8-9/h9H,3-8H2,1-2H3,(H,12,14)/t9-/m0/s1.
What are the key properties of 3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide?
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide has a molecular weight of 228.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide is sourced from PubChem (CID 124575480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).