ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen

C21H42N4O2 — CID 166466675

IUPACethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen
SMILESCC.CCC(=O)NC1CCC2CN(C(=O)CCN3CCN(CC)CC3)CC21.[H][H]
InChIInChI=1S/C19H34N4O2.C2H6.H2/c1-3-18(24)20-17-6-5-15-13-23(14-16(15)17)19(25)7-8-22-11-9-21(4-2)10-12-22;1-2;/h15-17H,3-14H2,1-2H3,(H,20,24);1-2H3;1H
InChIKeyXVKGWXBZSRHPMZ-UHFFFAOYSA-N
MW382.59 g/mol
LogP2.05
Rot. Bonds6

About ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen

ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen (PubChem CID 166466675) has the molecular formula C21H42N4O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen
PubChem CID166466675
Molecular FormulaC21H42N4O2
Molecular Weight382.59 g/mol
Exact Mass382.33
IUPAC Nameethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen
SMILESCC.CCC(=O)NC1CCC2CN(C(=O)CCN3CCN(CC)CC3)CC21.[H][H]
InChIInChI=1S/C19H34N4O2.C2H6.H2/c1-3-18(24)20-17-6-5-15-13-23(14-16(15)17)19(25)7-8-22-11-9-21(4-2)10-12-22;1-2;/h15-17H,3-14H2,1-2H3,(H,20,24);1-2H3;1H
InChIKeyXVKGWXBZSRHPMZ-UHFFFAOYSA-N
XLogP2.05
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen with MolForge

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Related Compounds

N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]acetamide
CID 154670939
ethane;N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylpropanamide;molecular hydrogen
CID 154670807
N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide;molecular hydrogen
CID 166466756
N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide
CID 166466757
3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 174181009
1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119379909
N-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-3-yl]propanamide
CID 120981335
3-(4-ethylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 167027277
4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride
CID 71933075
3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109018325
1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942692

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen?
The IUPAC name of ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen (CID 166466675) is ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen?
The canonical SMILES for ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen is CC.CCC(=O)NC1CCC2CN(C(=O)CCN3CCN(CC)CC3)CC21.[H][H].
What is the InChIKey of ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen?
The InChIKey is XVKGWXBZSRHPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.C2H6.H2/c1-3-18(24)20-17-6-5-15-13-23(14-16(15)17)19(25)7-8-22-11-9-21(4-2)10-12-22;1-2;/h15-17H,3-14H2,1-2H3,(H,20,24);1-2H3;1H.
What are the key properties of ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen?
ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen has a molecular weight of 382.59 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]propanamide;molecular hydrogen is sourced from PubChem (CID 166466675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).