N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide

C22H31N3O2 — CID 167872290

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESO=C(CNC(=O)C12CCCN(CC1)C2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c26-20(16-23-21(27)22-9-4-11-24(17-22)14-10-22)25-12-7-19(8-13-25)15-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2,(H,23,27)
InChIKeyIYCJKQYFLHTZAK-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.07
Rot. Bonds5

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide (PubChem CID 167872290) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
PubChem CID167872290
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESO=C(CNC(=O)C12CCCN(CC1)C2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c26-20(16-23-21(27)22-9-4-11-24(17-22)14-10-22)25-12-7-19(8-13-25)15-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2,(H,23,27)
InChIKeyIYCJKQYFLHTZAK-UHFFFAOYSA-N
XLogP2.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide with MolForge

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Related Compounds

1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119320484
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-benzyl-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methylguanidine
CID 111749720
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide
CID 119778256
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide
CID 71983019
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111749827
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111749873

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide (CID 167872290) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide is O=C(CNC(=O)C12CCCN(CC1)C2)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The InChIKey is IYCJKQYFLHTZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-20(16-23-21(27)22-9-4-11-24(17-22)14-10-22)25-12-7-19(8-13-25)15-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2,(H,23,27).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide is sourced from PubChem (CID 167872290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).