2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride

C21H30ClN3O2 — CID 119685001

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C21H29N3O2.ClH/c25-20(14-15-12-16-8-9-17(13-15)22-16)23-19-7-3-2-6-18(19)21(26)24-10-4-1-5-11-24;/h2-3,6-7,15-17,22H,1,4-5,8-14H2,(H,23,25);1H
InChIKeyGJNCZQBYTJEDRQ-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.59
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride (PubChem CID 119685001) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
PubChem CID119685001
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C21H29N3O2.ClH/c25-20(14-15-12-16-8-9-17(13-15)22-16)23-19-7-3-2-6-18(19)21(26)24-10-4-1-5-11-24;/h2-3,6-7,15-17,22H,1,4-5,8-14H2,(H,23,25);1H
InChIKeyGJNCZQBYTJEDRQ-UHFFFAOYSA-N
XLogP3.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 119703964
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828036
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)phenyl]acetamide;dihydrochloride
CID 119842083
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119704664
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119759904
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylbenzamide
CID 119714094
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
CID 79606850
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-cyclopentylacetamide
CID 54786796
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride (CID 119685001) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride?
The InChIKey is GJNCZQBYTJEDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.ClH/c25-20(14-15-12-16-8-9-17(13-15)22-16)23-19-7-3-2-6-18(19)21(26)24-10-4-1-5-11-24;/h2-3,6-7,15-17,22H,1,4-5,8-14H2,(H,23,25);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119685001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).