2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide

C14H24N2O — CID 71792630

IUPAC2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide
SMILESCC(C)(C)C(=O)NCC#CCN1CCCCC1
InChIInChI=1S/C14H24N2O/c1-14(2,3)13(17)15-9-5-8-12-16-10-6-4-7-11-16/h4,6-7,9-12H2,1-3H3,(H,15,17)
InChIKeyQIPCOLKGNZCAEL-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.64
Rot. Bonds2

About 2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide

2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide (PubChem CID 71792630) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide
PubChem CID71792630
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide
SMILESCC(C)(C)C(=O)NCC#CCN1CCCCC1
InChIInChI=1S/C14H24N2O/c1-14(2,3)13(17)15-9-5-8-12-16-10-6-4-7-11-16/h4,6-7,9-12H2,1-3H3,(H,15,17)
InChIKeyQIPCOLKGNZCAEL-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.64
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

N-(4-pyrrolidin-1-ylbut-2-ynyl)cyclohexanecarboxamide
CID 71792542
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
5-piperidin-1-ylpent-3-ynoic acid
CID 115015881
N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide
CID 59304328
oxalic acid;1-prop-2-ynylpiperidine
CID 71318911
2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide
CID 90550972
4-pyrrolidin-1-ylbut-2-ynamide
CID 154108122
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599
N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]cyclobutanecarboxamide
CID 164637885
2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 110345330
2,2-dimethyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110368584
3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
CID 79627677

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide (CID 71792630) is 2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide is CC(C)(C)C(=O)NCC#CCN1CCCCC1.
What is the InChIKey of 2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide?
The InChIKey is QIPCOLKGNZCAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)13(17)15-9-5-8-12-16-10-6-4-7-11-16/h4,6-7,9-12H2,1-3H3,(H,15,17).
What are the key properties of 2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide?
2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide has a molecular weight of 236.36 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide is sourced from PubChem (CID 71792630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).