1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone

C18H26N2O2 — CID 95160991

IUPAC1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-22-14-18(21)20-12-6-10-17(20)16-9-5-11-19(16)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t16-,17+/m0/s1
InChIKeyBZCRMANFUKWREG-DLBZAZTESA-N
MW302.42 g/mol
LogP2.29
Rot. Bonds5

About 1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone

1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 95160991) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID95160991
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-22-14-18(21)20-12-6-10-17(20)16-9-5-11-19(16)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t16-,17+/m0/s1
InChIKeyBZCRMANFUKWREG-DLBZAZTESA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 95160990
1-[(2S)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 94816467
1-[2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 154748125
(3aS,9aR)-4-benzyl-1-(2-methoxyacetyl)-2,3,3a,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-5-one
CID 110136600
1-[4-[(2R)-1-benzylazetidine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone
CID 96509477
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95596963
[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 95323240
methyl 1-benzyl-2-deuteriopyrrolidine-2-carboxylate
CID 132570943
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
methyl (2S,3R)-1-benzyl-3-methylpiperidine-2-carboxylate
CID 10610504
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-[(3-methoxyphenyl)methoxy]ethanone
CID 95294095

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone (CID 95160991) is 1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of 1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is BZCRMANFUKWREG-DLBZAZTESA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-14-18(21)20-12-6-10-17(20)16-9-5-11-19(16)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t16-,17+/m0/s1.
What are the key properties of 1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 302.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 95160991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).