N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide

C16H21N3O2 — CID 43243967

IUPACN-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C16H21N3O2/c1-21-15-5-8-19(9-6-15)10-7-16(20)18-14-4-2-3-13(11-14)12-17/h2-4,11,15H,5-10H2,1H3,(H,18,20)
InChIKeyMOCKDNAIJIEHGC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.00
Rot. Bonds5

About N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide

N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide (PubChem CID 43243967) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
PubChem CID43243967
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C16H21N3O2/c1-21-15-5-8-19(9-6-15)10-7-16(20)18-14-4-2-3-13(11-14)12-17/h2-4,11,15H,5-10H2,1H3,(H,18,20)
InChIKeyMOCKDNAIJIEHGC-UHFFFAOYSA-N
XLogP2.00
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243966
N-(3-cyanophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28745017
N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 80702946
N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide
CID 115667757
N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124730854
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
N-(3-cyanophenyl)-3-(2,3-dimethylthiomorpholin-4-yl)propanamide
CID 115666843
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-(3-cyanophenyl)-3-(2-ethylthiomorpholin-4-yl)propanamide
CID 115666984
N-(3-cyanophenyl)-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115873695
N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490825

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide (CID 43243967) is N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide is COC1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
The InChIKey is MOCKDNAIJIEHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-15-5-8-19(9-6-15)10-7-16(20)18-14-4-2-3-13(11-14)12-17/h2-4,11,15H,5-10H2,1H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 43243967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).