N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide

C21H40N4O — CID 166466757

IUPACN-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCC2CN(CCCN3CCN(CC)CC3)CC21
InChIInChI=1S/C21H40N4O/c1-4-17(3)21(26)22-20-8-7-18-15-25(16-19(18)20)10-6-9-24-13-11-23(5-2)12-14-24/h17-20H,4-16H2,1-3H3,(H,22,26)
InChIKeyKAIQGUFTGLUVQI-UHFFFAOYSA-N
MW364.58 g/mol
LogP1.89
Rot. Bonds8

About N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide

N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide (PubChem CID 166466757) has the molecular formula C21H40N4O and a molecular weight of 364.58 g/mol. Its IUPAC name is N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide
PubChem CID166466757
Molecular FormulaC21H40N4O
Molecular Weight364.58 g/mol
Exact Mass364.32
IUPAC NameN-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCC2CN(CCCN3CCN(CC)CC3)CC21
InChIInChI=1S/C21H40N4O/c1-4-17(3)21(26)22-20-8-7-18-15-25(16-19(18)20)10-6-9-24-13-11-23(5-2)12-14-24/h17-20H,4-16H2,1-3H3,(H,22,26)
InChIKeyKAIQGUFTGLUVQI-UHFFFAOYSA-N
XLogP1.89
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide 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
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
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
(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
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
6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide
CID 65292005
N-[(3aS,4R,6aR)-2-[6,6-bis(4-fluorophenyl)hexyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 66590191
(2S)-N-[(3aR,4S,6aS)-2-[(4-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-(methylamino)pentanamide
CID 66590640
2-ethyl-N-[5-(4-ethylpiperazin-1-yl)pentyl]butanamide
CID 110441795
(5S)-1-(4-ethylpiperazin-1-yl)nonan-5-ol
CID 118889926
[(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
2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide
CID 129181028

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide?
The IUPAC name of 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) is N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide.
What is the SMILES notation for N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide?
The canonical SMILES for N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide is CCC(C)C(=O)NC1CCC2CN(CCCN3CCN(CC)CC3)CC21.
What is the InChIKey of N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide?
The InChIKey is KAIQGUFTGLUVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O/c1-4-17(3)21(26)22-20-8-7-18-15-25(16-19(18)20)10-6-9-24-13-11-23(5-2)12-14-24/h17-20H,4-16H2,1-3H3,(H,22,26).
What are the key properties of N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide?
N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide has a molecular weight of 364.58 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-ethylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-methylbutanamide is sourced from PubChem (CID 166466757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).