1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid

C14H25N3O3 — CID 119903931

IUPAC1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCCN1CCN(C(=O)C(C)N2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-3-15-6-8-16(9-7-15)13(18)11(2)17-5-4-12(10-17)14(19)20/h11-12H,3-10H2,1-2H3,(H,19,20)
InChIKeyHZNSXYJQYBBVJW-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.05
Rot. Bonds4

About 1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid

1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 119903931) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID119903931
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCCN1CCN(C(=O)C(C)N2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-3-15-6-8-16(9-7-15)13(18)11(2)17-5-4-12(10-17)14(19)20/h11-12H,3-10H2,1-2H3,(H,19,20)
InChIKeyHZNSXYJQYBBVJW-UHFFFAOYSA-N
XLogP-0.05
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184818
(2S)-2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 7986281
2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 5149334
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]morpholine-2-carboxamide
CID 49452444
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907170
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 81459438
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
1-(4-ethylpiperazin-1-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
CID 111489679
1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032736
(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 94455628

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid (CID 119903931) is 1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid is CCN1CCN(C(=O)C(C)N2CCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is HZNSXYJQYBBVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-15-6-8-16(9-7-15)13(18)11(2)17-5-4-12(10-17)14(19)20/h11-12H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119903931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).