[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone

C13H25N3O — CID 125147204

IUPAC[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
SMILESCCCN1CCC[C@H]1C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C13H25N3O/c1-2-7-15-8-4-6-12(15)13(17)16-9-3-5-11(14)10-16/h11-12H,2-10,14H2,1H3/t11-,12+/m1/s1
InChIKeyVQVZQRFITRIQMZ-NEPJUHHUSA-N
MW239.36 g/mol
LogP0.81
Rot. Bonds3

About [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone (PubChem CID 125147204) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
PubChem CID125147204
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
SMILESCCCN1CCC[C@H]1C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C13H25N3O/c1-2-7-15-8-4-6-12(15)13(17)16-9-3-5-11(14)10-16/h11-12H,2-10,14H2,1H3/t11-,12+/m1/s1
InChIKeyVQVZQRFITRIQMZ-NEPJUHHUSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone
CID 125146439
(4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone
CID 129151320
N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479435
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
CID 61296841
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone
CID 119380695
[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
CID 95353974
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone (CID 125147204) is [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone is CCCN1CCC[C@H]1C(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone?
The InChIKey is VQVZQRFITRIQMZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-7-15-8-4-6-12(15)13(17)16-9-3-5-11(14)10-16/h11-12H,2-10,14H2,1H3/t11-,12+/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone has a molecular weight of 239.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 125147204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).