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

C14H24N2O3 — CID 79286410

IUPAC1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCC(OCCOCC)CC1
InChIInChI=1S/C14H24N2O3/c1-3-7-15-12-14(17)16-8-5-13(6-9-16)19-11-10-18-4-2/h1,13,15H,4-12H2,2H3
InChIKeyBLSGQTNPJKICIY-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.25
Rot. Bonds8

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

1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone (PubChem CID 79286410) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
PubChem CID79286410
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCC(OCCOCC)CC1
InChIInChI=1S/C14H24N2O3/c1-3-7-15-12-14(17)16-8-5-13(6-9-16)19-11-10-18-4-2/h1,13,15H,4-12H2,2H3
InChIKeyBLSGQTNPJKICIY-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60775999
ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 60776132
1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79286950
2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 64611799
3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60947240
1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79287587
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
1-(4-phenoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79287472
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone
CID 82695486
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79287387

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone (CID 79286410) is 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)N1CCC(OCCOCC)CC1.
What is the InChIKey of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone?
The InChIKey is BLSGQTNPJKICIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-7-15-12-14(17)16-8-5-13(6-9-16)19-11-10-18-4-2/h1,13,15H,4-12H2,2H3.
What are the key properties of 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone?
1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone has a molecular weight of 268.36 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethoxy)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 79286410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).