2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid

C12H20N2O3 — CID 60792822

IUPAC2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCCCN1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-2-3-13-4-6-14(7-5-13)11(15)9-8-10(9)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyXGFPXPGCCWQGSL-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.26
Rot. Bonds4

About 2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid

2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 60792822) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID60792822
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCCCN1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-2-3-13-4-6-14(7-5-13)11(15)9-8-10(9)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyXGFPXPGCCWQGSL-UHFFFAOYSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Methylpiperazin-1-yl)-5-oxopentanoic acid
CID 706836
2-[4-(Trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 65534816
3-Methyl-5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
CID 16469298
2-[Butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54875517
2-[2-Methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54875561
2-[4-(2,2,2-Trifluoroethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 54918665
2-[3-(Trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 54936613
2,2-Dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 64835575
cis-(1S,2R)-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93320915
cis-(1S,2R)-2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378148
trans-(1S,2S)-2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378149
trans-(1R,2R)-2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378150

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 60792822) is 2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid is CCCN1CCN(C(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is XGFPXPGCCWQGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-3-13-4-6-14(7-5-13)11(15)9-8-10(9)12(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid?
2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60792822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).