N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide

C18H23N3O3 — CID 87040040

IUPACN-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide
SMILESCOC1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1
InChIInChI=1S/C18H23N3O3/c1-18(2,12-19)13-4-6-14(7-5-13)20-16(22)17(23)21-10-8-15(24-3)9-11-21/h4-7,15H,8-11H2,1-3H3,(H,20,22)
InChIKeyDGXAEPUAITYWKB-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.06
Rot. Bonds3

About N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide

N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide (PubChem CID 87040040) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide
PubChem CID87040040
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide
SMILESCOC1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1
InChIInChI=1S/C18H23N3O3/c1-18(2,12-19)13-4-6-14(7-5-13)20-16(22)17(23)21-10-8-15(24-3)9-11-21/h4-7,15H,8-11H2,1-3H3,(H,20,22)
InChIKeyDGXAEPUAITYWKB-UHFFFAOYSA-N
XLogP2.06
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901737
1-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075851
N-[4-(2-cyanopropan-2-yl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 71982862
4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
2-(4-benzylpiperidin-1-yl)-N-(4-tert-butylphenyl)-2-oxoacetamide
CID 108507060
N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336374
2-[[4-(2-cyanopropan-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941581
N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
2-cyano-N-[4-(4-methoxypiperidin-1-yl)phenyl]acetamide
CID 90595833
ethyl 1-[2-oxo-2-(4-thiocyanatoanilino)acetyl]piperidine-4-carboxylate
CID 108504242
N-(4-bromophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 47345433

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide (CID 87040040) is N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide is COC1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1.
What is the InChIKey of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide?
The InChIKey is DGXAEPUAITYWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,12-19)13-4-6-14(7-5-13)20-16(22)17(23)21-10-8-15(24-3)9-11-21/h4-7,15H,8-11H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide?
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide has a molecular weight of 329.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-methoxypiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 87040040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).