N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide

C19H27N3O — CID 46388323

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)c1cc2ccccn2c1
InChIInChI=1S/C19H27N3O/c1-2-17-8-3-5-11-21(17)13-7-10-20-19(23)16-14-18-9-4-6-12-22(18)15-16/h4,6,9,12,14-15,17H,2-3,5,7-8,10-11,13H2,1H3,(H,20,23)
InChIKeyFGSVJGLNECOTQY-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.32
Rot. Bonds6

About N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide

N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide (PubChem CID 46388323) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
PubChem CID46388323
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)c1cc2ccccn2c1
InChIInChI=1S/C19H27N3O/c1-2-17-8-3-5-11-21(17)13-7-10-20-19(23)16-14-18-9-4-6-12-22(18)15-16/h4,6,9,12,14-15,17H,2-3,5,7-8,10-11,13H2,1H3,(H,20,23)
InChIKeyFGSVJGLNECOTQY-UHFFFAOYSA-N
XLogP3.32
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide (CID 46388323) is N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide is CCC1CCCCN1CCCNC(=O)c1cc2ccccn2c1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide?
The InChIKey is FGSVJGLNECOTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-2-17-8-3-5-11-21(17)13-7-10-20-19(23)16-14-18-9-4-6-12-22(18)15-16/h4,6,9,12,14-15,17H,2-3,5,7-8,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide is sourced from PubChem (CID 46388323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).