N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

C17H21N3O2 — CID 113180832

IUPACN-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCC(C)CC1)c1cccc(C#N)c1
InChIInChI=1S/C17H21N3O2/c1-13-6-8-19(9-7-13)17(22)12-20(14(2)21)16-5-3-4-15(10-16)11-18/h3-5,10,13H,6-9,12H2,1-2H3
InChIKeyDPZJYRRIHAOFLH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.17
Rot. Bonds3

About N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113180832) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
PubChem CID113180832
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCC(C)CC1)c1cccc(C#N)c1
InChIInChI=1S/C17H21N3O2/c1-13-6-8-19(9-7-13)17(22)12-20(14(2)21)16-5-3-4-15(10-16)11-18/h3-5,10,13H,6-9,12H2,1-2H3
InChIKeyDPZJYRRIHAOFLH-UHFFFAOYSA-N
XLogP2.17
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113180842
N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 31256314
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113175111
N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113180909
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113174822
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113178396
N-[4-(diethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113176828
N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide
CID 121012223
N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175886
2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide
CID 113177261
N-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132344
3-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylmethyl]benzonitrile
CID 94804319

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (CID 113180832) is N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCC(C)CC1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is DPZJYRRIHAOFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-6-8-19(9-7-13)17(22)12-20(14(2)21)16-5-3-4-15(10-16)11-18/h3-5,10,13H,6-9,12H2,1-2H3.
What are the key properties of N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113180832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).