1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone

C13H22N2O — CID 83053784

IUPAC1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCCCC1CCC
InChIInChI=1S/C13H22N2O/c1-3-7-12-8-5-6-10-15(12)13(16)11-14-9-4-2/h2,12,14H,3,5-11H2,1H3
InChIKeyUJCSLBLJXLCONT-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds5

About 1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone

1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone (PubChem CID 83053784) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
PubChem CID83053784
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)N1CCCCC1CCC
InChIInChI=1S/C13H22N2O/c1-3-7-12-8-5-6-10-15(12)13(16)11-14-9-4-2/h2,12,14H,3,5-11H2,1H3
InChIKeyUJCSLBLJXLCONT-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79286776
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
methyl N-[2-oxo-2-(2-propylpyrrolidin-1-yl)ethyl]carbamate
CID 144841415
2-(2-aminocyclohexyl)-1-(2-propylpiperidin-1-yl)ethanone
CID 83061947
2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634633
1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005935
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
cyclopentyl 2-propylpiperidine-1-carboxylate
CID 112738861
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
N-ethyl-2-propylpiperidine-1-carbothioamide
CID 104587652
2-methyl-2-(methylamino)-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053483

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone (CID 83053784) is 1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)N1CCCCC1CCC.
What is the InChIKey of 1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
The InChIKey is UJCSLBLJXLCONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-7-12-8-5-6-10-15(12)13(16)11-14-9-4-2/h2,12,14H,3,5-11H2,1H3.
What are the key properties of 1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone?
1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone has a molecular weight of 222.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 83053784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).