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

C14H25N3O3 — CID 81125816

IUPAC(3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCN1CCN(C(=O)N2CCC[C@H](C(=O)O)C2)CC1C
InChIInChI=1S/C14H25N3O3/c1-3-15-7-8-17(9-11(15)2)14(20)16-6-4-5-12(10-16)13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)/t11?,12-/m0/s1
InChIKeyZWJDWNZKTRGTKP-KIYNQFGBSA-N
MW283.37 g/mol
LogP0.93
Rot. Bonds2

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

(3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81125816) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID81125816
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCN1CCN(C(=O)N2CCC[C@H](C(=O)O)C2)CC1C
InChIInChI=1S/C14H25N3O3/c1-3-15-7-8-17(9-11(15)2)14(20)16-6-4-5-12(10-16)13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)/t11?,12-/m0/s1
InChIKeyZWJDWNZKTRGTKP-KIYNQFGBSA-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

4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783355
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
4-(4-ethyl-3-methylpiperazine-1-carbonyl)morpholine-2-carboxylic acid
CID 63614048
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
2-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63610170
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 113418347
(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 104941009
1-(4-methylsulfanylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 123306117
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid (CID 81125816) is (3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid is CCN1CCN(C(=O)N2CCC[C@H](C(=O)O)C2)CC1C.
What is the InChIKey of (3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is ZWJDWNZKTRGTKP-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-15-7-8-17(9-11(15)2)14(20)16-6-4-5-12(10-16)13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)/t11?,12-/m0/s1.
What are the key properties of (3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(4-ethyl-3-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 (3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81125816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).