N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide

C16H21N3O2 — CID 103898485

IUPACN-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccc(C#N)cc2)CC1O
InChIInChI=1S/C16H21N3O2/c1-11-7-8-19(10-15(11)20)12(2)16(21)18-14-5-3-13(9-17)4-6-14/h3-6,11-12,15,20H,7-8,10H2,1-2H3,(H,18,21)
InChIKeyUNUVDVCUTXUXOE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.59
Rot. Bonds3

About N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide

N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide (PubChem CID 103898485) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
PubChem CID103898485
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccc(C#N)cc2)CC1O
InChIInChI=1S/C16H21N3O2/c1-11-7-8-19(10-15(11)20)12(2)16(21)18-14-5-3-13(9-17)4-6-14/h3-6,11-12,15,20H,7-8,10H2,1-2H3,(H,18,21)
InChIKeyUNUVDVCUTXUXOE-UHFFFAOYSA-N
XLogP1.59
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 60976032
1-[1-(4-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43824034
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 43176778
N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955990
(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956094
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide (CID 103898485) is N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide is CC1CCN(C(C)C(=O)Nc2ccc(C#N)cc2)CC1O.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The InChIKey is UNUVDVCUTXUXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-7-8-19(10-15(11)20)12(2)16(21)18-14-5-3-13(9-17)4-6-14/h3-6,11-12,15,20H,7-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 103898485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).