(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride

C12H21Cl2N5O — CID 119857933

IUPAC(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NC1CCCN(c2ncccn2)C1.Cl.Cl
InChIInChI=1S/C12H19N5O.2ClH/c1-9(13)11(18)16-10-4-2-7-17(8-10)12-14-5-3-6-15-12;;/h3,5-6,9-10H,2,4,7-8,13H2,1H3,(H,16,18);2*1H/t9-,10?;;/m1../s1
InChIKeyGSFNVGPDWMAXGF-BFBVBPSISA-N
MW322.24 g/mol
LogP0.75
Rot. Bonds3

About (2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride

(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride (PubChem CID 119857933) has the molecular formula C12H21Cl2N5O and a molecular weight of 322.24 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
PubChem CID119857933
Molecular FormulaC12H21Cl2N5O
Molecular Weight322.24 g/mol
Exact Mass321.11
IUPAC Name(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NC1CCCN(c2ncccn2)C1.Cl.Cl
InChIInChI=1S/C12H19N5O.2ClH/c1-9(13)11(18)16-10-4-2-7-17(8-10)12-14-5-3-6-15-12;;/h3,5-6,9-10H,2,4,7-8,13H2,1H3,(H,16,18);2*1H/t9-,10?;;/m1../s1
InChIKeyGSFNVGPDWMAXGF-BFBVBPSISA-N
XLogP0.75
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride (CID 119857933) is (2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride is C[C@@H](N)C(=O)NC1CCCN(c2ncccn2)C1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride?
The InChIKey is GSFNVGPDWMAXGF-BFBVBPSISA-N. The full InChI is InChI=1S/C12H19N5O.2ClH/c1-9(13)11(18)16-10-4-2-7-17(8-10)12-14-5-3-6-15-12;;/h3,5-6,9-10H,2,4,7-8,13H2,1H3,(H,16,18);2*1H/t9-,10?;;/m1../s1.
What are the key properties of (2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride?
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride has a molecular weight of 322.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119857933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).