2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C22H27N3O — CID 41456404

IUPAC2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCC[C@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H27N3O/c26-22(17-25-16-6-9-21(25)18-7-2-1-3-8-18)23-19-10-12-20(13-11-19)24-14-4-5-15-24/h1-3,7-8,10-13,21H,4-6,9,14-17H2,(H,23,26)/t21-/m0/s1
InChIKeyOPAPWNLHGCJZSF-NRFANRHFSA-N
MW349.48 g/mol
LogP4.06
Rot. Bonds5

About 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 41456404) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID41456404
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCC[C@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H27N3O/c26-22(17-25-16-6-9-21(25)18-7-2-1-3-8-18)23-19-10-12-20(13-11-19)24-14-4-5-15-24/h1-3,7-8,10-13,21H,4-6,9,14-17H2,(H,23,26)/t21-/m0/s1
InChIKeyOPAPWNLHGCJZSF-NRFANRHFSA-N
XLogP4.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.06
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-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78835208
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
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
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 51313660
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 41456404) is 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is OPAPWNLHGCJZSF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(17-25-16-6-9-21(25)18-7-2-1-3-8-18)23-19-10-12-20(13-11-19)24-14-4-5-15-24/h1-3,7-8,10-13,21H,4-6,9,14-17H2,(H,23,26)/t21-/m0/s1.
What are the key properties of 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 349.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 41456404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).