2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide

C23H29N3O — CID 78835208

IUPAC2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCCC1c1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O/c27-23(18-26-17-7-10-22(26)19-8-3-1-4-9-19)24-20-11-13-21(14-12-20)25-15-5-2-6-16-25/h1,3-4,8-9,11-14,22H,2,5-7,10,15-18H2,(H,24,27)
InChIKeyOSUHYAADKJQFBI-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.45
Rot. Bonds5

About 2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide

2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 78835208) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID78835208
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCCC1c1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O/c27-23(18-26-17-7-10-22(26)19-8-3-1-4-9-19)24-20-11-13-21(14-12-20)25-15-5-2-6-16-25/h1,3-4,8-9,11-14,22H,2,5-7,10,15-18H2,(H,24,27)
InChIKeyOSUHYAADKJQFBI-UHFFFAOYSA-N
XLogP4.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41456404
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496286
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 32723022
N-(2,6-dimethylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448251
N-(1,3-benzodioxol-5-yl)-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 17440176
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8726657
2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide
CID 166024724
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide (CID 78835208) is 2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide is O=C(CN1CCCC1c1ccccc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is OSUHYAADKJQFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(18-26-17-7-10-22(26)19-8-3-1-4-9-19)24-20-11-13-21(14-12-20)25-15-5-2-6-16-25/h1,3-4,8-9,11-14,22H,2,5-7,10,15-18H2,(H,24,27).
What are the key properties of 2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 363.50 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 78835208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).