3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid

C17H21N3O2 — CID 118739671

IUPAC3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid
SMILESO=C(O)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1
InChIInChI=1S/C17H21N3O2/c21-17(22)14-3-4-15-5-6-16(20(15)12-14)19-9-7-18(8-10-19)11-13-1-2-13/h3-6,12-13H,1-2,7-11H2,(H,21,22)
InChIKeyJNVNBAHEIXHNOU-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.17
Rot. Bonds4

About 3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid

3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid (PubChem CID 118739671) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid
PubChem CID118739671
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid
SMILESO=C(O)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1
InChIInChI=1S/C17H21N3O2/c21-17(22)14-3-4-15-5-6-16(20(15)12-14)19-9-7-18(8-10-19)11-13-1-2-13/h3-6,12-13H,1-2,7-11H2,(H,21,22)
InChIKeyJNVNBAHEIXHNOU-UHFFFAOYSA-N
XLogP2.17
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid?
The IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid (CID 118739671) is 3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid?
The canonical SMILES for 3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid is O=C(O)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1.
What is the InChIKey of 3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid?
The InChIKey is JNVNBAHEIXHNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(22)14-3-4-15-5-6-16(20(15)12-14)19-9-7-18(8-10-19)11-13-1-2-13/h3-6,12-13H,1-2,7-11H2,(H,21,22).
What are the key properties of 3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid?
3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)piperazin-1-yl]indolizine-6-carboxylic acid is sourced from PubChem (CID 118739671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).