N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide

C17H23N3O — CID 60976032

IUPACN-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCN(C(C)C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H23N3O/c1-3-14-8-10-20(11-9-14)13(2)17(21)19-16-6-4-15(12-18)5-7-16/h4-7,13-14H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyPYMUPRQXWVHYON-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds4

About N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide

N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide (PubChem CID 60976032) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
PubChem CID60976032
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCN(C(C)C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H23N3O/c1-3-14-8-10-20(11-9-14)13(2)17(21)19-16-6-4-15(12-18)5-7-16/h4-7,13-14H,3,8-11H2,1-2H3,(H,19,21)
InChIKeyPYMUPRQXWVHYON-UHFFFAOYSA-N
XLogP3.01
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 103898485
N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 43176778
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878
(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 2657138

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide (CID 60976032) is N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide is CCC1CCN(C(C)C(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide?
The InChIKey is PYMUPRQXWVHYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-14-8-10-20(11-9-14)13(2)17(21)19-16-6-4-15(12-18)5-7-16/h4-7,13-14H,3,8-11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide?
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 60976032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).