2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid

C15H27N3O3 — CID 62310100

IUPAC2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC1CC(C)CN(C(=O)N2CCN(C(C)C(=O)O)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-11-8-12(2)10-18(9-11)15(21)17-6-4-16(5-7-17)13(3)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyLTCWYTHEACXVNE-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.17
Rot. Bonds2

About 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62310100) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62310100
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC1CC(C)CN(C(=O)N2CCN(C(C)C(=O)O)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-11-8-12(2)10-18(9-11)15(21)17-6-4-16(5-7-17)13(3)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyLTCWYTHEACXVNE-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid (CID 62310100) is 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid is CC1CC(C)CN(C(=O)N2CCN(C(C)C(=O)O)CC2)C1.
What is the InChIKey of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is LTCWYTHEACXVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-8-12(2)10-18(9-11)15(21)17-6-4-16(5-7-17)13(3)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62310100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).