2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

C16H24N2O2S — CID 62656121

IUPAC2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)CN1CCC(C=O)CC1)c1cccs1
InChIInChI=1S/C16H24N2O2S/c1-12(2)16(14-4-3-9-21-14)17-15(20)10-18-7-5-13(11-19)6-8-18/h3-4,9,11-13,16H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyZJDOXHRZJWOHPB-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.47
Rot. Bonds6

About 2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (PubChem CID 62656121) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
PubChem CID62656121
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)CN1CCC(C=O)CC1)c1cccs1
InChIInChI=1S/C16H24N2O2S/c1-12(2)16(14-4-3-9-21-14)17-15(20)10-18-7-5-13(11-19)6-8-18/h3-4,9,11-13,16H,5-8,10H2,1-2H3,(H,17,20)
InChIKeyZJDOXHRZJWOHPB-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.47
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

2-(3-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62656575
2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 36799965
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 106672150
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24566759
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 80546360
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 31735919
2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051678
2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16566117
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate
CID 42884527
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
3-(cyclopropylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 60866044

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (CID 62656121) is 2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is CC(C)C(NC(=O)CN1CCC(C=O)CC1)c1cccs1.
What is the InChIKey of 2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is ZJDOXHRZJWOHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(2)16(14-4-3-9-21-14)17-15(20)10-18-7-5-13(11-19)6-8-18/h3-4,9,11-13,16H,5-8,10H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 62656121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).