N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide

C14H17N3O2 — CID 103533438

IUPACN-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
SMILESCOC1CCN(CC(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C14H17N3O2/c1-19-13-6-7-17(9-13)10-14(18)16-12-4-2-11(8-15)3-5-12/h2-5,13H,6-7,9-10H2,1H3,(H,16,18)
InChIKeyPTPOEQISMITWEU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.22
Rot. Bonds4

About N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide

N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide (PubChem CID 103533438) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
PubChem CID103533438
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
SMILESCOC1CCN(CC(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C14H17N3O2/c1-19-13-6-7-17(9-13)10-14(18)16-12-4-2-11(8-15)3-5-12/h2-5,13H,6-7,9-10H2,1H3,(H,16,18)
InChIKeyPTPOEQISMITWEU-UHFFFAOYSA-N
XLogP1.22
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.22
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-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 112698282
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 114961132
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-cyanophenyl)acetamide
CID 79927603
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide (CID 103533438) is N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide is COC1CCN(CC(=O)Nc2ccc(C#N)cc2)C1.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide?
The InChIKey is PTPOEQISMITWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-13-6-7-17(9-13)10-14(18)16-12-4-2-11(8-15)3-5-12/h2-5,13H,6-7,9-10H2,1H3,(H,16,18).
What are the key properties of N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103533438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).