2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide

C20H25N5O — CID 134045205

IUPAC2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(Cc2cn3ccccc3c2C#N)CC1
InChIInChI=1S/C20H25N5O/c1-15(20(26)22-17-5-6-17)24-10-8-23(9-11-24)13-16-14-25-7-3-2-4-19(25)18(16)12-21/h2-4,7,14-15,17H,5-6,8-11,13H2,1H3,(H,22,26)
InChIKeyJMUWSWNGJVGNFJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.60
Rot. Bonds5

About 2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 134045205) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID134045205
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(Cc2cn3ccccc3c2C#N)CC1
InChIInChI=1S/C20H25N5O/c1-15(20(26)22-17-5-6-17)24-10-8-23(9-11-24)13-16-14-25-7-3-2-4-19(25)18(16)12-21/h2-4,7,14-15,17H,5-6,8-11,13H2,1H3,(H,22,26)
InChIKeyJMUWSWNGJVGNFJ-UHFFFAOYSA-N
XLogP1.60
TPSA63.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 95610800
methyl (2S)-2-[1-[(1-cyanoindolizin-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238831
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46514218
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 47018326
ethyl 1-[(1-cyanoindolizin-2-yl)methyl]piperidine-4-carboxylate
CID 51322364
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide
CID 43043050
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 30636587

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 134045205) is 2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(Cc2cn3ccccc3c2C#N)CC1.
What is the InChIKey of 2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is JMUWSWNGJVGNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15(20(26)22-17-5-6-17)24-10-8-23(9-11-24)13-16-14-25-7-3-2-4-19(25)18(16)12-21/h2-4,7,14-15,17H,5-6,8-11,13H2,1H3,(H,22,26).
What are the key properties of 2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyanoindolizin-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 134045205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).