1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone

C23H25N3O — CID 109006353

IUPAC1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone
SMILESO=C(CNc1cccc2cccnc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N3O/c27-22(17-25-21-10-4-8-20-9-5-13-24-23(20)21)26-14-11-19(12-15-26)16-18-6-2-1-3-7-18/h1-10,13,19,25H,11-12,14-17H2
InChIKeySJSYFBJYWDHERP-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.13
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone

1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone (PubChem CID 109006353) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone
PubChem CID109006353
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone
SMILESO=C(CNc1cccc2cccnc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N3O/c27-22(17-25-21-10-4-8-20-9-5-13-24-23(20)21)26-14-11-19(12-15-26)16-18-6-2-1-3-7-18/h1-10,13,19,25H,11-12,14-17H2
InChIKeySJSYFBJYWDHERP-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanone
CID 133342478
ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate
CID 109003913
1-(4-benzylpiperidin-1-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 133342535
5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 122048849
1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
CID 133342559
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
CID 133342561
1-(4-benzylpiperidin-1-yl)-2-pyridin-2-ylsulfanylethanone
CID 78760913
1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008372
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone (CID 109006353) is 1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone is O=C(CNc1cccc2cccnc12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone?
The InChIKey is SJSYFBJYWDHERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-22(17-25-21-10-4-8-20-9-5-13-24-23(20)21)26-14-11-19(12-15-26)16-18-6-2-1-3-7-18/h1-10,13,19,25H,11-12,14-17H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone has a molecular weight of 359.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone is sourced from PubChem (CID 109006353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).