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

C16H21N3O2 — CID 43243966

IUPACN-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H21N3O2/c1-21-15-6-9-19(10-7-15)11-8-16(20)18-14-4-2-13(12-17)3-5-14/h2-5,15H,6-11H2,1H3,(H,18,20)
InChIKeyPFUYOOZRCMZNBH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.00
Rot. Bonds5

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

N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide (PubChem CID 43243966) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
PubChem CID43243966
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H21N3O2/c1-21-15-6-9-19(10-7-15)11-8-16(20)18-14-4-2-13(12-17)3-5-14/h2-5,15H,6-11H2,1H3,(H,18,20)
InChIKeyPFUYOOZRCMZNBH-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-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243967
N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 28793141
ethyl 4-[3-(4-cyanoanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 33406443
3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 79874391
N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
CID 43372575
ethyl 2-[4-[3-(4-cyanoanilino)-3-oxopropyl]piperazin-1-yl]acetate
CID 22599623
N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43421973
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62058920

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide (CID 43243966) is N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide is COC1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
The InChIKey is PFUYOOZRCMZNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-15-6-9-19(10-7-15)11-8-16(20)18-14-4-2-13(12-17)3-5-14/h2-5,15H,6-11H2,1H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide?
N-(4-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-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 43243966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).