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

C22H32ClN3O3 — CID 119732606

IUPAC1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)CC2CC3CCC(C2)N3)CC1.Cl
InChIInChI=1S/C22H31N3O3.ClH/c1-28-20-5-3-2-4-19(20)24-22(27)16-8-10-25(11-9-16)21(26)14-15-12-17-6-7-18(13-15)23-17;/h2-5,15-18,23H,6-14H2,1H3,(H,24,27);1H
InChIKeyFRWIGUZCICCPLN-UHFFFAOYSA-N
MW421.97 g/mol
LogP3.21
Rot. Bonds5

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

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119732606) has the molecular formula C22H32ClN3O3 and a molecular weight of 421.97 g/mol. Its IUPAC name is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119732606
Molecular FormulaC22H32ClN3O3
Molecular Weight421.97 g/mol
Exact Mass421.21
IUPAC Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)CC2CC3CCC(C2)N3)CC1.Cl
InChIInChI=1S/C22H31N3O3.ClH/c1-28-20-5-3-2-4-19(20)24-22(27)16-8-10-25(11-9-16)21(26)14-15-12-17-6-7-18(13-15)23-17;/h2-5,15-18,23H,6-14H2,1H3,(H,24,27);1H
InChIKeyFRWIGUZCICCPLN-UHFFFAOYSA-N
XLogP3.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 119826574
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759263
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 38644491
1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732590
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 119876167
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride (CID 119732606) is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride is COc1ccccc1NC(=O)C1CCN(C(=O)CC2CC3CCC(C2)N3)CC1.Cl.
What is the InChIKey of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is FRWIGUZCICCPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3.ClH/c1-28-20-5-3-2-4-19(20)24-22(27)16-8-10-25(11-9-16)21(26)14-15-12-17-6-7-18(13-15)23-17;/h2-5,15-18,23H,6-14H2,1H3,(H,24,27);1H.
What are the key properties of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride?
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119732606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).