3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide

C13H22N2O — CID 155582693

IUPAC3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide
SMILESCC(C)C#CC1CCN(CCC(N)=O)CC1
InChIInChI=1S/C13H22N2O/c1-11(2)3-4-12-5-8-15(9-6-12)10-7-13(14)16/h11-12H,5-10H2,1-2H3,(H2,14,16)
InChIKeyMVUKUXWCCCZURA-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.23
Rot. Bonds3

About 3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide

3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide (PubChem CID 155582693) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide
PubChem CID155582693
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide
SMILESCC(C)C#CC1CCN(CCC(N)=O)CC1
InChIInChI=1S/C13H22N2O/c1-11(2)3-4-12-5-8-15(9-6-12)10-7-13(14)16/h11-12H,5-10H2,1-2H3,(H2,14,16)
InChIKeyMVUKUXWCCCZURA-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[4-(3-methylbut-1-ynyl)piperidin-1-yl]butan-2-one
CID 167366052
ethane;1-ethyl-4-(3-methylbut-1-ynyl)piperidine
CID 154671858
5,5-dimethyl-1-[4-(3-methylbut-1-ynyl)piperidin-1-yl]hexan-1-one
CID 167387201
3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]-3-oxopropanoyl fluoride
CID 155740588
3-(4-butan-2-ylpiperazin-1-yl)propanamide
CID 62772700
4-(3-methylbut-1-ynyl)-1-(trideuteriomethyl)piperidine
CID 176599610
4-(4-aminopiperidin-1-yl)butanamide
CID 118533814
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
CID 63904708
3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63171229
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]propanamide
CID 107160625
2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid
CID 116684049
3-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507781

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide?
The IUPAC name of 3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide (CID 155582693) is 3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide?
The canonical SMILES for 3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide is CC(C)C#CC1CCN(CCC(N)=O)CC1.
What is the InChIKey of 3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide?
The InChIKey is MVUKUXWCCCZURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)3-4-12-5-8-15(9-6-12)10-7-13(14)16/h11-12H,5-10H2,1-2H3,(H2,14,16).
What are the key properties of 3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide?
3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide has a molecular weight of 222.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylbut-1-ynyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 155582693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).