N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C23H28N3O2+ — CID 9451484

IUPACN-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[NH+](Cc2ccccc2)C1
InChIInChI=1S/C23H27N3O2/c27-22(15-18-8-10-21(11-9-18)26-13-4-7-23(26)28)24-20-12-14-25(17-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-17H2,(H,24,27)/p+1/t20-/m1/s1
InChIKeyFLURVOJZXDQBBP-HXUWFJFHSA-O
MW378.50 g/mol
LogP1.33
Rot. Bonds6

About N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 9451484) has the molecular formula C23H28N3O2+ and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID9451484
Molecular FormulaC23H28N3O2+
Molecular Weight378.50 g/mol
Exact Mass378.22
IUPAC NameN-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[NH+](Cc2ccccc2)C1
InChIInChI=1S/C23H27N3O2/c27-22(15-18-8-10-21(11-9-18)26-13-4-7-23(26)28)24-20-12-14-25(17-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-17H2,(H,24,27)/p+1/t20-/m1/s1
InChIKeyFLURVOJZXDQBBP-HXUWFJFHSA-O
XLogP1.33
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
CID 7964634
N-(2,2-diphenylethyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26313258
2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8538965
N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide
CID 9208935
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8934807
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetamide
CID 8597268
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 17431388
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
N-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17418131
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41045423

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 9451484) is N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[NH+](Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is FLURVOJZXDQBBP-HXUWFJFHSA-O. The full InChI is InChI=1S/C23H27N3O2/c27-22(15-18-8-10-21(11-9-18)26-13-4-7-23(26)28)24-20-12-14-25(17-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-17H2,(H,24,27)/p+1/t20-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 378.50 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 9451484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).