1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone

C14H25N3O — CID 79287587

IUPAC1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C14H25N3O/c1-4-9-15-12-14(18)17-10-7-13(8-11-17)16(5-2)6-3/h1,13,15H,5-12H2,2-3H3
InChIKeyGVWMABVIWMWDOW-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.54
Rot. Bonds6

About 1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone

1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone (PubChem CID 79287587) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
PubChem CID79287587
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C14H25N3O/c1-4-9-15-12-14(18)17-10-7-13(8-11-17)16(5-2)6-3/h1,13,15H,5-12H2,2-3H3
InChIKeyGVWMABVIWMWDOW-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone (CID 79287587) is 1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)N1CCC(N(CC)CC)CC1.
What is the InChIKey of 1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone?
The InChIKey is GVWMABVIWMWDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-9-15-12-14(18)17-10-7-13(8-11-17)16(5-2)6-3/h1,13,15H,5-12H2,2-3H3.
What are the key properties of 1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone?
1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone has a molecular weight of 251.37 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 79287587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).