N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide

C17H23N3O — CID 72901526

IUPACN-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C17H23N3O/c1-20-11-3-2-4-16(20)9-10-17(21)19-13-15-7-5-14(12-18)6-8-15/h5-8,16H,2-4,9-11,13H2,1H3,(H,19,21)
InChIKeyVUENHKMCGGEGQK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.44
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide

N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide (PubChem CID 72901526) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
PubChem CID72901526
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C17H23N3O/c1-20-11-3-2-4-16(20)9-10-17(21)19-13-15-7-5-14(12-18)6-8-15/h5-8,16H,2-4,9-11,13H2,1H3,(H,19,21)
InChIKeyVUENHKMCGGEGQK-UHFFFAOYSA-N
XLogP2.44
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
N-[(4-methylphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 110850894
4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile
CID 124671707
N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97204902
2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
CID 126836517
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 97209684
N-[(4-cyanophenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 134035362
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97197075
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72890403
N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97206201

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide (CID 72901526) is N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide is CN1CCCCC1CCC(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide?
The InChIKey is VUENHKMCGGEGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20-11-3-2-4-16(20)9-10-17(21)19-13-15-7-5-14(12-18)6-8-15/h5-8,16H,2-4,9-11,13H2,1H3,(H,19,21).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide?
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide is sourced from PubChem (CID 72901526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).