propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate

C20H29N3O2 — CID 174957645

IUPACpropan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate
SMILESCC(C)OC(=O)c1ccn2cc(C(C)CCN3CCNCC3)cc2c1
InChIInChI=1S/C20H29N3O2/c1-15(2)25-20(24)17-5-9-23-14-18(13-19(23)12-17)16(3)4-8-22-10-6-21-7-11-22/h5,9,12-16,21H,4,6-8,10-11H2,1-3H3
InChIKeyIPGXAQIUNALKER-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.90
Rot. Bonds6

About propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate

propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate (PubChem CID 174957645) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate
PubChem CID174957645
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Namepropan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate
SMILESCC(C)OC(=O)c1ccn2cc(C(C)CCN3CCNCC3)cc2c1
InChIInChI=1S/C20H29N3O2/c1-15(2)25-20(24)17-5-9-23-14-18(13-19(23)12-17)16(3)4-8-22-10-6-21-7-11-22/h5,9,12-16,21H,4,6-8,10-11H2,1-3H3
InChIKeyIPGXAQIUNALKER-UHFFFAOYSA-N
XLogP2.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate (CID 174957645) is propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate is CC(C)OC(=O)c1ccn2cc(C(C)CCN3CCNCC3)cc2c1.
What is the InChIKey of propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate?
The InChIKey is IPGXAQIUNALKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15(2)25-20(24)17-5-9-23-14-18(13-19(23)12-17)16(3)4-8-22-10-6-21-7-11-22/h5,9,12-16,21H,4,6-8,10-11H2,1-3H3.
What are the key properties of propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate?
propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate has a molecular weight of 343.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate is sourced from PubChem (CID 174957645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).