2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid

C15H27N3O3 — CID 126423639

IUPAC2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid
SMILESCN1CCN(CCC(=O)N2CCCC[C@@H]2CC(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-16-8-10-17(11-9-16)7-5-14(19)18-6-3-2-4-13(18)12-15(20)21/h13H,2-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyZSYLRTIHKYDZME-CYBMUJFWSA-N
MW297.40 g/mol
LogP0.48
Rot. Bonds5

About 2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid

2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid (PubChem CID 126423639) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid
PubChem CID126423639
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid
SMILESCN1CCN(CCC(=O)N2CCCC[C@@H]2CC(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-16-8-10-17(11-9-16)7-5-14(19)18-6-3-2-4-13(18)12-15(20)21/h13H,2-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyZSYLRTIHKYDZME-CYBMUJFWSA-N
XLogP0.48
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid (CID 126423639) is 2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid is CN1CCN(CCC(=O)N2CCCC[C@@H]2CC(=O)O)CC1.
What is the InChIKey of 2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid?
The InChIKey is ZSYLRTIHKYDZME-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16-8-10-17(11-9-16)7-5-14(19)18-6-3-2-4-13(18)12-15(20)21/h13H,2-12H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid?
2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 126423639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).