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

C19H28N2O — CID 95160990

IUPAC1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C19H28N2O/c1-15(2)19(22)21-13-7-11-18(21)17-10-6-12-20(17)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3/t17-,18+/m1/s1
InChIKeyFPCZEERIIPDADB-MSOLQXFVSA-N
MW300.45 g/mol
LogP3.30
Rot. Bonds4

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

1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 95160990) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID95160990
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C19H28N2O/c1-15(2)19(22)21-13-7-11-18(21)17-10-6-12-20(17)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3/t17-,18+/m1/s1
InChIKeyFPCZEERIIPDADB-MSOLQXFVSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95160991
[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 95323240
[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95596963
1-[(2S)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 94816467
(2S)-1-[(4aR,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-aminopropan-1-one
CID 124593091
(2S)-1-[(4aS,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-aminopropan-1-one
CID 124689542
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
N-[1-(1-benzylpyrrolidin-2-yl)butan-2-yl]-2-methylpropanamide
CID 71048572
1-benzyl-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 169238777
2-[(1-benzylpyrrolidine-2-carbonyl)-methylamino]propanoic acid
CID 119358457
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one (CID 95160990) is 1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of 1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is FPCZEERIIPDADB-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15(2)19(22)21-13-7-11-18(21)17-10-6-12-20(17)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of 1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 300.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 95160990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).