(4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone

C13H24N2O6 — CID 70927213

IUPAC(4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone
SMILESCCCN1CCN(C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)CC1
InChIInChI=1S/C13H24N2O6/c1-2-3-14-4-6-15(7-5-14)12(19)11-9(17)8(16)10(18)13(20)21-11/h8-11,13,16-18,20H,2-7H2,1H3/t8-,9-,10+,11-,13+/m0/s1
InChIKeyOJUNDEQLEAYMSV-XPORZQOISA-N
MW304.34 g/mol
LogP-2.66
Rot. Bonds3

About (4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone

(4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone (PubChem CID 70927213) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is (4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone.

Molecular Properties

Compound Name(4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone
PubChem CID70927213
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name(4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone
SMILESCCCN1CCN(C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)CC1
InChIInChI=1S/C13H24N2O6/c1-2-3-14-4-6-15(7-5-14)12(19)11-9(17)8(16)10(18)13(20)21-11/h8-11,13,16-18,20H,2-7H2,1H3/t8-,9-,10+,11-,13+/m0/s1
InChIKeyOJUNDEQLEAYMSV-XPORZQOISA-N
XLogP-2.66
TPSA113.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-2.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone?
The IUPAC name of (4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone (CID 70927213) is (4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone.
What is the SMILES notation for (4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone?
The canonical SMILES for (4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone is CCCN1CCN(C(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)CC1.
What is the InChIKey of (4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone?
The InChIKey is OJUNDEQLEAYMSV-XPORZQOISA-N. The full InChI is InChI=1S/C13H24N2O6/c1-2-3-14-4-6-15(7-5-14)12(19)11-9(17)8(16)10(18)13(20)21-11/h8-11,13,16-18,20H,2-7H2,1H3/t8-,9-,10+,11-,13+/m0/s1.
What are the key properties of (4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone?
(4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone has a molecular weight of 304.34 g/mol, XLogP of -2.66, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylpiperazin-1-yl)-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone is sourced from PubChem (CID 70927213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).