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

C21H44N4O — CID 154670807

IUPACethane;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
SMILESCC.CCN1CCN(CCN2CC3CCC(NC(=O)C(C)C)C3C2)CC1.[H][H]
InChIInChI=1S/C19H36N4O.C2H6.H2/c1-4-21-7-9-22(10-8-21)11-12-23-13-16-5-6-18(17(16)14-23)20-19(24)15(2)3;1-2;/h15-18H,4-14H2,1-3H3,(H,20,24);1-2H3;1H
InChIKeyVOKCODRBRJXGHW-UHFFFAOYSA-N
MW368.61 g/mol
LogP2.38
Rot. Bonds6

About 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

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 (PubChem CID 154670807) has the molecular formula C21H44N4O and a molecular weight of 368.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID154670807
Molecular FormulaC21H44N4O
Molecular Weight368.61 g/mol
Exact Mass368.35
IUPAC Nameethane;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
SMILESCC.CCN1CCN(CCN2CC3CCC(NC(=O)C(C)C)C3C2)CC1.[H][H]
InChIInChI=1S/C19H36N4O.C2H6.H2/c1-4-21-7-9-22(10-8-21)11-12-23-13-16-5-6-18(17(16)14-23)20-19(24)15(2)3;1-2;/h15-18H,4-14H2,1-3H3,(H,20,24);1-2H3;1H
InChIKeyVOKCODRBRJXGHW-UHFFFAOYSA-N
XLogP2.38
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen
CID 154670951
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
(2S)-N-[(3aR,4S,6aS)-2-[3,3-bis(4-fluorophenyl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-(methylamino)pentanamide
CID 66590488
2-methyl-N-[[2-[3-(4-methylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]propanamide;molecular hydrogen
CID 166466687
[(2S)-1-[[(3aR,4S,6aS)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-1-oxopentan-2-yl]-propan-2-ylcarbamic acid
CID 66590594
(2S)-N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-amino-3,3-dimethylbutanamide
CID 66590025
N-[(3aR,4S,6aS)-2-(pyridin-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3-methyl-2-phenylbutanamide
CID 46213112
[1-[[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-1-oxopentan-2-yl]-methylcarbamic acid
CID 66590469
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylbutanamide
CID 119901800

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CCN1CCN(CCN2CC3CCC(NC(=O)C(C)C)C3C2)CC1.[H][H].
What is the InChIKey of 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?
The InChIKey is VOKCODRBRJXGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O.C2H6.H2/c1-4-21-7-9-22(10-8-21)11-12-23-13-16-5-6-18(17(16)14-23)20-19(24)15(2)3;1-2;/h15-18H,4-14H2,1-3H3,(H,20,24);1-2H3;1H.
What are the key properties of 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?
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 has a molecular weight of 368.61 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154670807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).