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

C14H27N3O — CID 125146439

IUPAC[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone
SMILESCCCN1CCCC[C@H]1C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C14H27N3O/c1-2-8-16-9-4-3-7-13(16)14(18)17-10-5-6-12(15)11-17/h12-13H,2-11,15H2,1H3/t12-,13+/m1/s1
InChIKeyJPWSMXSUBOAJBG-OLZOCXBDSA-N
MW253.39 g/mol
LogP1.20
Rot. Bonds3

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

[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone (PubChem CID 125146439) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone
PubChem CID125146439
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone
SMILESCCCN1CCCC[C@H]1C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C14H27N3O/c1-2-8-16-9-4-3-7-13(16)14(18)17-10-5-6-12(15)11-17/h12-13H,2-11,15H2,1H3/t12-,13+/m1/s1
InChIKeyJPWSMXSUBOAJBG-OLZOCXBDSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
CID 125147204
(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
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283
(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
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
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

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone (CID 125146439) is [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone is CCCN1CCCC[C@H]1C(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone?
The InChIKey is JPWSMXSUBOAJBG-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-8-16-9-4-3-7-13(16)14(18)17-10-5-6-12(15)11-17/h12-13H,2-11,15H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 1.20, 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-propylpiperidin-2-yl]methanone is sourced from PubChem (CID 125146439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).