1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide

C15H25N3O2 — CID 79607842

IUPAC1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C15H25N3O2/c16-15(20)11-3-5-18(6-4-11)14(19)9-10-7-12-1-2-13(8-10)17-12/h10-13,17H,1-9H2,(H2,16,20)
InChIKeyQIEFSFWOVFJCJY-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.63
Rot. Bonds3

About 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 79607842) 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]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID79607842
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C15H25N3O2/c16-15(20)11-3-5-18(6-4-11)14(19)9-10-7-12-1-2-13(8-10)17-12/h10-13,17H,1-9H2,(H2,16,20)
InChIKeyQIEFSFWOVFJCJY-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 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 ≤ 50.63
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]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide (CID 79607842) is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CC2CC3CCC(C2)N3)CC1.
What is the InChIKey of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is QIEFSFWOVFJCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c16-15(20)11-3-5-18(6-4-11)14(19)9-10-7-12-1-2-13(8-10)17-12/h10-13,17H,1-9H2,(H2,16,20).
What are the key properties of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide?
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 0.63, 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]piperidine-4-carboxamide is sourced from PubChem (CID 79607842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).