1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride

C20H36ClN3O2 — CID 119763244

IUPAC1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)CC2CC3CCC(C2)N3)C1.Cl
InChIInChI=1S/C20H35N3O2.ClH/c1-3-5-14(2)21-20(25)16-6-4-9-23(13-16)19(24)12-15-10-17-7-8-18(11-15)22-17;/h14-18,22H,3-13H2,1-2H3,(H,21,25);1H
InChIKeyHUNVJIZRGKXWMH-UHFFFAOYSA-N
MW385.98 g/mol
LogP2.87
Rot. Bonds6

About 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119763244) has the molecular formula C20H36ClN3O2 and a molecular weight of 385.98 g/mol. Its IUPAC name is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119763244
Molecular FormulaC20H36ClN3O2
Molecular Weight385.98 g/mol
Exact Mass385.25
IUPAC Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)CC2CC3CCC(C2)N3)C1.Cl
InChIInChI=1S/C20H35N3O2.ClH/c1-3-5-14(2)21-20(25)16-6-4-9-23(13-16)19(24)12-15-10-17-7-8-18(11-15)22-17;/h14-18,22H,3-13H2,1-2H3,(H,21,25);1H
InChIKeyHUNVJIZRGKXWMH-UHFFFAOYSA-N
XLogP2.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.98
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-propylpiperidine-3-carboxamide
CID 119763386
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 79607325
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride
CID 119807830
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-propan-2-ylazepan-1-yl)ethanone;hydrochloride
CID 119787865
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763223
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763227
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 119786515
1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591034
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (CID 119763244) is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is CCCC(C)NC(=O)C1CCCN(C(=O)CC2CC3CCC(C2)N3)C1.Cl.
What is the InChIKey of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is HUNVJIZRGKXWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2.ClH/c1-3-5-14(2)21-20(25)16-6-4-9-23(13-16)19(24)12-15-10-17-7-8-18(11-15)22-17;/h14-18,22H,3-13H2,1-2H3,(H,21,25);1H.
What are the key properties of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 385.98 g/mol, XLogP of 2.87, 6 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-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119763244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).