1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid

C14H25N3O3 — CID 63614384

IUPAC1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCN1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1(C)C
InChIInChI=1S/C14H25N3O3/c1-14(2)10-17(9-8-15(14)3)13(20)16-6-4-11(5-7-16)12(18)19/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyLUHIZJYNONRNJZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.93
Rot. Bonds1

About 1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid

1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63614384) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID63614384
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCN1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1(C)C
InChIInChI=1S/C14H25N3O3/c1-14(2)10-17(9-8-15(14)3)13(20)16-6-4-11(5-7-16)12(18)19/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyLUHIZJYNONRNJZ-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 102744940
1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63614728
(2R,4R)-4-hydroxy-1-(3,3,4-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78999354
1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032464
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 102744970
1-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030858
2-[4-(3,3,4-trimethylpiperazine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433532
1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 62776977
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
piperidine-1,4-dicarboxylic acid
CID 18542445
2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 63615863
4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114511814

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid (CID 63614384) is 1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid is CN1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1(C)C.
What is the InChIKey of 1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is LUHIZJYNONRNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2)10-17(9-8-15(14)3)13(20)16-6-4-11(5-7-16)12(18)19/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid?
1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4-trimethylpiperazine-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63614384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).