2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide

C15H26N4O2 — CID 102891595

IUPAC2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)C2NCC3CCCC32)CC1
InChIInChI=1S/C15H26N4O2/c1-16-13(20)10-18-5-7-19(8-6-18)15(21)14-12-4-2-3-11(12)9-17-14/h11-12,14,17H,2-10H2,1H3,(H,16,20)
InChIKeyJGJNFYPHFYSPLS-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.74
Rot. Bonds3

About 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide

2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 102891595) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide
PubChem CID102891595
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)C2NCC3CCCC32)CC1
InChIInChI=1S/C15H26N4O2/c1-16-13(20)10-18-5-7-19(8-6-18)15(21)14-12-4-2-3-11(12)9-17-14/h11-12,14,17H,2-10H2,1H3,(H,16,20)
InChIKeyJGJNFYPHFYSPLS-UHFFFAOYSA-N
XLogP-0.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(4-cyclopropylpiperazin-1-yl)methanone
CID 102891939
N-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperidin-4-yl]acetamide
CID 102893655
N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 60717609
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220421
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 102893620
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102893952
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313762
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide
CID 47124968
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 102892277
cis-(1S,2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93377074
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017
2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 129492016

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide (CID 102891595) is 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)C2NCC3CCCC32)CC1.
What is the InChIKey of 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is JGJNFYPHFYSPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-16-13(20)10-18-5-7-19(8-6-18)15(21)14-12-4-2-3-11(12)9-17-14/h11-12,14,17H,2-10H2,1H3,(H,16,20).
What are the key properties of 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 294.40 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 102891595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).