1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide

C15H25N3O2 — CID 79607949

IUPAC1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H25N3O2/c1-16-15(20)13-3-2-6-18(13)14(19)9-10-7-11-4-5-12(8-10)17-11/h10-13,17H,2-9H2,1H3,(H,16,20)
InChIKeyLMVBENILSKZCJZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.64
Rot. Bonds3

About 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 79607949) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID79607949
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H25N3O2/c1-16-15(20)13-3-2-6-18(13)14(19)9-10-7-11-4-5-12(8-10)17-11/h10-13,17H,2-9H2,1H3,(H,16,20)
InChIKeyLMVBENILSKZCJZ-UHFFFAOYSA-N
XLogP0.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide (CID 79607949) is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is LMVBENILSKZCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-16-15(20)13-3-2-6-18(13)14(19)9-10-7-11-4-5-12(8-10)17-11/h10-13,17H,2-9H2,1H3,(H,16,20).
What are the key properties of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 79607949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).