(2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one

C19H33N3O2 — CID 129426502

IUPAC(2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
SMILESCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)C(=O)N1CCCCCC1
InChIInChI=1S/C19H33N3O2/c1-15(19(24)20-11-5-3-4-6-12-20)21-13-7-9-17(21)18-10-8-14-22(18)16(2)23/h15,17-18H,3-14H2,1-2H3/t15-,17-,18-/m1/s1
InChIKeyACFJFPAQEIQMIY-KBAYOESNSA-N
MW335.49 g/mol
LogP2.25
Rot. Bonds3

About (2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one

(2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one (PubChem CID 129426502) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
PubChem CID129426502
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
SMILESCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)C(=O)N1CCCCCC1
InChIInChI=1S/C19H33N3O2/c1-15(19(24)20-11-5-3-4-6-12-20)21-13-7-9-17(21)18-10-8-14-22(18)16(2)23/h15,17-18H,3-14H2,1-2H3/t15-,17-,18-/m1/s1
InChIKeyACFJFPAQEIQMIY-KBAYOESNSA-N
XLogP2.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 100844075
2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-cyclopentylpropanamide
CID 56781705
2-[1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79535811
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 63760688
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 65320423
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
2-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539704
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 61063339
1-(azepan-1-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63768884
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one?
The IUPAC name of (2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one (CID 129426502) is (2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one is CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)C(=O)N1CCCCCC1.
What is the InChIKey of (2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one?
The InChIKey is ACFJFPAQEIQMIY-KBAYOESNSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15(19(24)20-11-5-3-4-6-12-20)21-13-7-9-17(21)18-10-8-14-22(18)16(2)23/h15,17-18H,3-14H2,1-2H3/t15-,17-,18-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one?
(2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one has a molecular weight of 335.49 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one is sourced from PubChem (CID 129426502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).