(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one

C12H23N3O — CID 78925476

IUPAC(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C12H23N3O/c1-10(13)12(16)15-8-5-11(9-15)14-6-3-2-4-7-14/h10-11H,2-9,13H2,1H3/t10-,11?/m1/s1
InChIKeyFPSSOXBMARVRQN-NFJWQWPMSA-N
MW225.34 g/mol
LogP0.42
Rot. Bonds2

About (2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one

(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 78925476) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
PubChem CID78925476
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C12H23N3O/c1-10(13)12(16)15-8-5-11(9-15)14-6-3-2-4-7-14/h10-11H,2-9,13H2,1H3/t10-,11?/m1/s1
InChIKeyFPSSOXBMARVRQN-NFJWQWPMSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
(2S)-2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151458
2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151715
2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 107905215
2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 63167118
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
(2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 120873000
2-amino-2-(oxan-4-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 120800008
2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 63168547
2-(3-piperidin-1-ylpyrrolidine-1-carbonyl)butanethioamide
CID 63514286
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 81089522
2-bromo-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 107904621

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one (CID 78925476) is (2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one is C[C@@H](N)C(=O)N1CCC(N2CCCCC2)C1.
What is the InChIKey of (2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is FPSSOXBMARVRQN-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(13)12(16)15-8-5-11(9-15)14-6-3-2-4-7-14/h10-11H,2-9,13H2,1H3/t10-,11?/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one?
(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 78925476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).