2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide

C21H31N3O — CID 166024724

IUPAC2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide
SMILESO=C(CN1C2CCCC1CC2)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C21H31N3O/c25-21(16-24-19-6-5-7-20(24)13-12-19)22-17-8-10-18(11-9-17)23-14-3-1-2-4-15-23/h8-11,19-20H,1-7,12-16H2,(H,22,25)
InChIKeyFHTVKJGLIGMZJD-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.02
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide

2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide (PubChem CID 166024724) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide
PubChem CID166024724
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide
SMILESO=C(CN1C2CCCC1CC2)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C21H31N3O/c25-21(16-24-19-6-5-7-20(24)13-12-19)22-17-8-10-18(11-9-17)23-14-3-1-2-4-15-23/h8-11,19-20H,1-7,12-16H2,(H,22,25)
InChIKeyFHTVKJGLIGMZJD-UHFFFAOYSA-N
XLogP4.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110016946
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015
N-[4-(azepan-1-yl)phenyl]-2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]acetamide
CID 22108504
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496286
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 512844
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108942640
N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9279041
2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78835208
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide (CID 166024724) is 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide is O=C(CN1C2CCCC1CC2)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide?
The InChIKey is FHTVKJGLIGMZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c25-21(16-24-19-6-5-7-20(24)13-12-19)22-17-8-10-18(11-9-17)23-14-3-1-2-4-15-23/h8-11,19-20H,1-7,12-16H2,(H,22,25).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide has a molecular weight of 341.50 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide is sourced from PubChem (CID 166024724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).