3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid

C14H25N3O3 — CID 63138089

IUPAC3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C14H25N3O3/c1-3-14(12(18)19)5-4-6-17(11-14)13(20)16-9-7-15(2)8-10-16/h3-11H2,1-2H3,(H,18,19)
InChIKeyNTHIVFNRCXLOKJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.93
Rot. Bonds2

About 3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid

3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 63138089) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID63138089
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C14H25N3O3/c1-3-14(12(18)19)5-4-6-17(11-14)13(20)16-9-7-15(2)8-10-16/h3-11H2,1-2H3,(H,18,19)
InChIKeyNTHIVFNRCXLOKJ-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

(3S)-1-(4-methylpiperazine-1-carbonyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97120677
1-(1,4-diazepane-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136520
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824
3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 63149236
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
(3R)-3-ethyl-1-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 97147798
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
3-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146066
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635
3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 63136615
3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83219396

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid (CID 63138089) is 3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)N2CCN(C)CC2)C1.
What is the InChIKey of 3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is NTHIVFNRCXLOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-14(12(18)19)5-4-6-17(11-14)13(20)16-9-7-15(2)8-10-16/h3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid?
3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63138089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).