2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid

C14H26N4O3 — CID 83018483

IUPAC2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCC1CCCC(C)N1NC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H26N4O3/c1-11-4-3-5-12(2)18(11)15-14(21)17-8-6-16(7-9-17)10-13(19)20/h11-12H,3-10H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyVZHILDVAZNLIRB-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.58
Rot. Bonds3

About 2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 83018483) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID83018483
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCC1CCCC(C)N1NC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H26N4O3/c1-11-4-3-5-12(2)18(11)15-14(21)17-8-6-16(7-9-17)10-13(19)20/h11-12H,3-10H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyVZHILDVAZNLIRB-UHFFFAOYSA-N
XLogP0.58
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid (CID 83018483) is 2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid is CC1CCCC(C)N1NC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is VZHILDVAZNLIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-11-4-3-5-12(2)18(11)15-14(21)17-8-6-16(7-9-17)10-13(19)20/h11-12H,3-10H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 298.39 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dimethylpiperidin-1-yl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 83018483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).