2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C15H24N2O3 — CID 102889805

IUPAC2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCC1CCN(C(=O)N2CC3CCCC3C2C(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-10-5-7-16(8-6-10)15(20)17-9-11-3-2-4-12(11)13(17)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyDIGOJNXMDBDUKW-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.02
Rot. Bonds1

About 2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102889805) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102889805
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCC1CCN(C(=O)N2CC3CCCC3C2C(=O)O)CC1
InChIInChI=1S/C15H24N2O3/c1-10-5-7-16(8-6-10)15(20)17-9-11-3-2-4-12(11)13(17)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyDIGOJNXMDBDUKW-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102889805) is 2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is CC1CCN(C(=O)N2CC3CCCC3C2C(=O)O)CC1.
What is the InChIKey of 2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is DIGOJNXMDBDUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-5-7-16(8-6-10)15(20)17-9-11-3-2-4-12(11)13(17)14(18)19/h10-13H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102889805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).