ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide

C13H28N2O2 — CID 153385233

IUPACethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide
SMILESCC.CCCNC(=O)COC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2.C2H6/c1-3-6-12-11(14)9-15-10-4-7-13(2)8-5-10;1-2/h10H,3-9H2,1-2H3,(H,12,14);1-2H3
InChIKeySIMHBIJOEJTMBK-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.65
Rot. Bonds5

About ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide

ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide (PubChem CID 153385233) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide.

Molecular Properties

Compound Nameethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide
PubChem CID153385233
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide
SMILESCC.CCCNC(=O)COC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2.C2H6/c1-3-6-12-11(14)9-15-10-4-7-13(2)8-5-10;1-2/h10H,3-9H2,1-2H3,(H,12,14);1-2H3
InChIKeySIMHBIJOEJTMBK-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-methylmorpholin-3-one
CID 54310878
(6S)-6-methylmorpholin-3-one
CID 57516786
1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 16777912
N-Ethyl-2-(4-piperidinyloxy)acetamide
CID 20298099
6-(Aminomethyl)-4-methyl-3-morpholinone
CID 24262147
2-(4-Piperidinyloxy)acetamide
CID 42553403
1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one hydrochloride
CID 42937265
1-(3-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 61297929
2-Methoxy-N-(piperidin-4-yl)acetamide
CID 16782129
2-(Piperidin-4-yloxy)acetamide hydrochloride
CID 56828174
N,N-dimethyl-2-(piperidin-4-yloxy)acetamide hydrochloride
CID 73994911
4-Methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one hydrochloride
CID 138039858

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide?
The IUPAC name of ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide (CID 153385233) is ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide.
What is the SMILES notation for ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide?
The canonical SMILES for ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide is CC.CCCNC(=O)COC1CCN(C)CC1.
What is the InChIKey of ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide?
The InChIKey is SIMHBIJOEJTMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C2H6/c1-3-6-12-11(14)9-15-10-4-7-13(2)8-5-10;1-2/h10H,3-9H2,1-2H3,(H,12,14);1-2H3.
What are the key properties of ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide?
ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide has a molecular weight of 244.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-methylpiperidin-4-yl)oxy-N-propylacetamide is sourced from PubChem (CID 153385233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).