N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide

C20H25N3O2 — CID 155966870

IUPACN-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESCC1CCN(C(=O)c2cc3ccccn3c2)CC1CNC(=O)C1CC1
InChIInChI=1S/C20H25N3O2/c1-14-7-9-23(13-17(14)11-21-19(24)15-5-6-15)20(25)16-10-18-4-2-3-8-22(18)12-16/h2-4,8,10,12,14-15,17H,5-7,9,11,13H2,1H3,(H,21,24)
InChIKeyDZJZZCADHCTSAU-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.56
Rot. Bonds4

About N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide

N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 155966870) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID155966870
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESCC1CCN(C(=O)c2cc3ccccn3c2)CC1CNC(=O)C1CC1
InChIInChI=1S/C20H25N3O2/c1-14-7-9-23(13-17(14)11-21-19(24)15-5-6-15)20(25)16-10-18-4-2-3-8-22(18)12-16/h2-4,8,10,12,14-15,17H,5-7,9,11,13H2,1H3,(H,21,24)
InChIKeyDZJZZCADHCTSAU-UHFFFAOYSA-N
XLogP2.56
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide (CID 155966870) is N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide is CC1CCN(C(=O)c2cc3ccccn3c2)CC1CNC(=O)C1CC1.
What is the InChIKey of N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is DZJZZCADHCTSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-7-9-23(13-17(14)11-21-19(24)15-5-6-15)20(25)16-10-18-4-2-3-8-22(18)12-16/h2-4,8,10,12,14-15,17H,5-7,9,11,13H2,1H3,(H,21,24).
What are the key properties of N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide?
N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(indolizine-2-carbonyl)-4-methylpiperidin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 155966870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).