4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid

C11H18N2O3 — CID 4742011

IUPAC4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H18N2O3/c14-10(3-4-11(15)16)13-7-5-12(6-8-13)9-1-2-9/h9H,1-8H2,(H,15,16)
InChIKeyCOYYXJCRUXTRLR-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.16
Rot. Bonds4

About 4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid

4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid (PubChem CID 4742011) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
PubChem CID4742011
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C11H18N2O3/c14-10(3-4-11(15)16)13-7-5-12(6-8-13)9-1-2-9/h9H,1-8H2,(H,15,16)
InChIKeyCOYYXJCRUXTRLR-UHFFFAOYSA-N
XLogP0.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropylpiperazin-1-yl)-5-hydroxypentan-1-one
CID 79199162
4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one
CID 63308048
5-oxo-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pentanoic acid
CID 54916584
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
4-(4-formylpiperidin-1-yl)-4-oxobutanoic acid
CID 87582095
4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 2826389
2-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 113427775
1-(4-chlorophenyl)-4-(4-cyclopentylpiperazin-1-yl)butane-1,4-dione;4-(4-chlorophenyl)-4-oxobutanoic acid;1-cyclopentylpiperazine
CID 162020921
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-oxopentanoic acid
CID 54875608
4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119887218
3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one
CID 83634844

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid (CID 4742011) is 4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid?
The InChIKey is COYYXJCRUXTRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(3-4-11(15)16)13-7-5-12(6-8-13)9-1-2-9/h9H,1-8H2,(H,15,16).
What are the key properties of 4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid?
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 4742011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).