N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride

C22H34Cl2N4O2 — CID 119840334

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCC(NC(=O)CC2CC3CCC(C2)N3)CC1)Nc1ccccc1
InChIInChI=1S/C22H32N4O2.2ClH/c27-21(14-16-12-19-6-7-20(13-16)23-19)24-18-8-10-26(11-9-18)15-22(28)25-17-4-2-1-3-5-17;;/h1-5,16,18-20,23H,6-15H2,(H,24,27)(H,25,28);2*1H
InChIKeyDZHUKWIOLBBXAK-UHFFFAOYSA-N
MW457.45 g/mol
LogP2.97
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride (PubChem CID 119840334) has the molecular formula C22H34Cl2N4O2 and a molecular weight of 457.45 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride
PubChem CID119840334
Molecular FormulaC22H34Cl2N4O2
Molecular Weight457.45 g/mol
Exact Mass456.21
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCC(NC(=O)CC2CC3CCC(C2)N3)CC1)Nc1ccccc1
InChIInChI=1S/C22H32N4O2.2ClH/c27-21(14-16-12-19-6-7-20(13-16)23-19)24-18-8-10-26(11-9-18)15-22(28)25-17-4-2-1-3-5-17;;/h1-5,16,18-20,23H,6-15H2,(H,24,27)(H,25,28);2*1H
InChIKeyDZHUKWIOLBBXAK-UHFFFAOYSA-N
XLogP2.97
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119840316
2-[4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 55517957
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide
CID 119888772
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride (CID 119840334) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride is Cl.Cl.O=C(CN1CCC(NC(=O)CC2CC3CCC(C2)N3)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride?
The InChIKey is DZHUKWIOLBBXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2.2ClH/c27-21(14-16-12-19-6-7-20(13-16)23-19)24-18-8-10-26(11-9-18)15-22(28)25-17-4-2-1-3-5-17;;/h1-5,16,18-20,23H,6-15H2,(H,24,27)(H,25,28);2*1H.
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride has a molecular weight of 457.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119840334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).