(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

C15H24N4O3 — CID 135109265

IUPAC(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
SMILESCCC[C@]1(C(=O)O)CCN(c2nccnc2N(C)C)C[C@@H]1O
InChIInChI=1S/C15H24N4O3/c1-4-5-15(14(21)22)6-9-19(10-11(15)20)13-12(18(2)3)16-7-8-17-13/h7-8,11,20H,4-6,9-10H2,1-3H3,(H,21,22)/t11-,15-/m0/s1
InChIKeyBZFSQFDZIJINNZ-NHYWBVRUSA-N
MW308.38 g/mol
LogP0.98
Rot. Bonds5

About (3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid (PubChem CID 135109265) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
PubChem CID135109265
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
SMILESCCC[C@]1(C(=O)O)CCN(c2nccnc2N(C)C)C[C@@H]1O
InChIInChI=1S/C15H24N4O3/c1-4-5-15(14(21)22)6-9-19(10-11(15)20)13-12(18(2)3)16-7-8-17-13/h7-8,11,20H,4-6,9-10H2,1-3H3,(H,21,22)/t11-,15-/m0/s1
InChIKeyBZFSQFDZIJINNZ-NHYWBVRUSA-N
XLogP0.98
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of (3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid (CID 135109265) is (3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for (3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for (3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid is CCC[C@]1(C(=O)O)CCN(c2nccnc2N(C)C)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid?
The InChIKey is BZFSQFDZIJINNZ-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-4-5-15(14(21)22)6-9-19(10-11(15)20)13-12(18(2)3)16-7-8-17-13/h7-8,11,20H,4-6,9-10H2,1-3H3,(H,21,22)/t11-,15-/m0/s1.
What are the key properties of (3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid?
(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 135109265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).