3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C14H24N2O3 — CID 64836583

IUPAC3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCC1CN(C(=O)C2C(C(=O)O)C2(C)C)CCN1C
InChIInChI=1S/C14H24N2O3/c1-5-9-8-16(7-6-15(9)4)12(17)10-11(13(18)19)14(10,2)3/h9-11H,5-8H2,1-4H3,(H,18,19)
InChIKeyWYQSXKIFHKNPSV-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.90
Rot. Bonds3

About 3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64836583) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64836583
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCC1CN(C(=O)C2C(C(=O)O)C2(C)C)CCN1C
InChIInChI=1S/C14H24N2O3/c1-5-9-8-16(7-6-15(9)4)12(17)10-11(13(18)19)14(10,2)3/h9-11H,5-8H2,1-4H3,(H,18,19)
InChIKeyWYQSXKIFHKNPSV-UHFFFAOYSA-N
XLogP0.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 64837448
3-(4-acetylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 25219924
trans-(1R,3R)-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 51674121
2-(3-ethyl-4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978778
cis-(1R,3S)-3-[4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390415
(3-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603764
3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 107214281
(2-aminocyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 55215394
cis-(1S,3R)-2,2-dimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 51674234
cis-(1R,3S)-3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065845
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636
ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate
CID 63615548

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64836583) is 3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CCC1CN(C(=O)C2C(C(=O)O)C2(C)C)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is WYQSXKIFHKNPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-9-8-16(7-6-15(9)4)12(17)10-11(13(18)19)14(10,2)3/h9-11H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64836583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).