1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone

C22H27N3O2 — CID 70723407

IUPAC1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)CN(C)Cc2ccccn2)CC1
InChIInChI=1S/C22H27N3O2/c1-18(26)22(19-8-4-3-5-9-19)11-14-25(15-12-22)21(27)17-24(2)16-20-10-6-7-13-23-20/h3-10,13H,11-12,14-17H2,1-2H3
InChIKeyZKZDLADGWRKWJD-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.66
Rot. Bonds6

About 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone

1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (PubChem CID 70723407) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
PubChem CID70723407
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)CN(C)Cc2ccccn2)CC1
InChIInChI=1S/C22H27N3O2/c1-18(26)22(19-8-4-3-5-9-19)11-14-25(15-12-22)21(27)17-24(2)16-20-10-6-7-13-23-20/h3-10,13H,11-12,14-17H2,1-2H3
InChIKeyZKZDLADGWRKWJD-UHFFFAOYSA-N
XLogP2.66
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617
2-[methyl(pyridin-2-ylmethyl)amino]-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 118772022
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 110108763
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
1-[(1S,5S)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 133134991
1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 125162266
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 113151434
2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid
CID 118796116
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (CID 70723407) is 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is CC(=O)C1(c2ccccc2)CCN(C(=O)CN(C)Cc2ccccn2)CC1.
What is the InChIKey of 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The InChIKey is ZKZDLADGWRKWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-18(26)22(19-8-4-3-5-9-19)11-14-25(15-12-22)21(27)17-24(2)16-20-10-6-7-13-23-20/h3-10,13H,11-12,14-17H2,1-2H3.
What are the key properties of 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone has a molecular weight of 365.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 70723407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).