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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

C20H40N4O — CID 166466687

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-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
SMILESCC(C)C(=O)NCC1CC2CN(CCCN3CCN(C)CC3)CC2C1.[H][H]
InChIInChI=1S/C20H38N4O.H2/c1-16(2)20(25)21-13-17-11-18-14-24(15-19(18)12-17)6-4-5-23-9-7-22(3)8-10-23;/h16-19H,4-15H2,1-3H3,(H,21,25);1H
InChIKeyIRMFKXLGHSUEEB-UHFFFAOYSA-N
MW352.57 g/mol
LogP1.60
Rot. Bonds7

About 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

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 (PubChem CID 166466687) has the molecular formula C20H40N4O and a molecular weight of 352.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID166466687
Molecular FormulaC20H40N4O
Molecular Weight352.57 g/mol
Exact Mass352.32
IUPAC Name2-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
SMILESCC(C)C(=O)NCC1CC2CN(CCCN3CCN(C)CC3)CC2C1.[H][H]
InChIInChI=1S/C20H38N4O.H2/c1-16(2)20(25)21-13-17-11-18-14-24(15-19(18)12-17)6-4-5-23-9-7-22(3)8-10-23;/h16-19H,4-15H2,1-3H3,(H,21,25);1H
InChIKeyIRMFKXLGHSUEEB-UHFFFAOYSA-N
XLogP1.60
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(=O)NCC1CC2CN(CCCN3CCN(C)CC3)CC2C1.[H][H].
What is the InChIKey of 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?
The InChIKey is IRMFKXLGHSUEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O.H2/c1-16(2)20(25)21-13-17-11-18-14-24(15-19(18)12-17)6-4-5-23-9-7-22(3)8-10-23;/h16-19H,4-15H2,1-3H3,(H,21,25);1H.
What are the key properties of 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?
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 has a molecular weight of 352.57 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166466687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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