ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide

C17H37N3O2 — CID 176554301

IUPACethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide
SMILESCC.CCC(=O)N1CCN(CCCCCCNC(C)=O)CC1.[H][H]
InChIInChI=1S/C15H29N3O2.C2H6.H2/c1-3-15(20)18-12-10-17(11-13-18)9-7-5-4-6-8-16-14(2)19;1-2;/h3-13H2,1-2H3,(H,16,19);1-2H3;1H
InChIKeySDUVANXDTBYWGN-UHFFFAOYSA-N
MW315.50 g/mol
LogP2.51
Rot. Bonds8

About ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide

ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide (PubChem CID 176554301) has the molecular formula C17H37N3O2 and a molecular weight of 315.50 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide
PubChem CID176554301
Molecular FormulaC17H37N3O2
Molecular Weight315.50 g/mol
Exact Mass315.29
IUPAC Nameethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide
SMILESCC.CCC(=O)N1CCN(CCCCCCNC(C)=O)CC1.[H][H]
InChIInChI=1S/C15H29N3O2.C2H6.H2/c1-3-15(20)18-12-10-17(11-13-18)9-7-5-4-6-8-16-14(2)19;1-2;/h3-13H2,1-2H3,(H,16,19);1-2H3;1H
InChIKeySDUVANXDTBYWGN-UHFFFAOYSA-N
XLogP2.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
CID 110441162
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
1-[4-[3-(propan-2-ylamino)propyl]piperazin-1-yl]propan-1-one
CID 146645130
1-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]propan-1-one
CID 110923851
N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
CID 47239682
ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 145317159
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
2-[4-(6-acetamidohexanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55603367
1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
CID 169188679
1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 178104609

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide?
The IUPAC name of ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide (CID 176554301) is ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide.
What is the SMILES notation for ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide?
The canonical SMILES for ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide is CC.CCC(=O)N1CCN(CCCCCCNC(C)=O)CC1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide?
The InChIKey is SDUVANXDTBYWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.C2H6.H2/c1-3-15(20)18-12-10-17(11-13-18)9-7-5-4-6-8-16-14(2)19;1-2;/h3-13H2,1-2H3,(H,16,19);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide?
ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide has a molecular weight of 315.50 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-[6-(4-propanoylpiperazin-1-yl)hexyl]acetamide is sourced from PubChem (CID 176554301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).