2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide

C13H25N5O3 — CID 130281989

IUPAC2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide
SMILESCNCNC(=O)C(C)(C)NCC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C13H25N5O3/c1-13(2,12(21)15-9-14-3)16-8-11(20)18-6-4-17(10-19)5-7-18/h10,14,16H,4-9H2,1-3H3,(H,15,21)
InChIKeyAHFVUXWFUGPBNA-UHFFFAOYSA-N
MW299.38 g/mol
LogP-2.05
Rot. Bonds7

About 2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide

2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide (PubChem CID 130281989) has the molecular formula C13H25N5O3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide
PubChem CID130281989
Molecular FormulaC13H25N5O3
Molecular Weight299.38 g/mol
Exact Mass299.20
IUPAC Name2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide
SMILESCNCNC(=O)C(C)(C)NCC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C13H25N5O3/c1-13(2,12(21)15-9-14-3)16-8-11(20)18-6-4-17(10-19)5-7-18/h10,14,16H,4-9H2,1-3H3,(H,15,21)
InChIKeyAHFVUXWFUGPBNA-UHFFFAOYSA-N
XLogP-2.05
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112991841
2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
CID 83634925
4-[2-(4-methylanilino)acetyl]piperazine-1-carbaldehyde
CID 108995952
4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde
CID 142393179
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108944496
ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane
CID 144680009
2-bromo-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 112991795
4-[2-(4-methoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108995990
N-tert-butyl-4-formylpiperazine-1-carboxamide
CID 4995630
4-[2-(4-chloroanilino)acetyl]piperazine-1-carbaldehyde
CID 108995977
4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde
CID 82113570

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide?
The IUPAC name of 2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide (CID 130281989) is 2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide.
What is the SMILES notation for 2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide?
The canonical SMILES for 2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide is CNCNC(=O)C(C)(C)NCC(=O)N1CCN(C=O)CC1.
What is the InChIKey of 2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide?
The InChIKey is AHFVUXWFUGPBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3/c1-13(2,12(21)15-9-14-3)16-8-11(20)18-6-4-17(10-19)5-7-18/h10,14,16H,4-9H2,1-3H3,(H,15,21).
What are the key properties of 2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide?
2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide has a molecular weight of 299.38 g/mol, XLogP of -2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide is sourced from PubChem (CID 130281989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).