4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde

C11H20N4O2 — CID 142393179

IUPAC4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde
SMILESCNN(CC(=O)N1CCN(C=O)CC1)C1CC1
InChIInChI=1S/C11H20N4O2/c1-12-15(10-2-3-10)8-11(17)14-6-4-13(9-16)5-7-14/h9-10,12H,2-8H2,1H3
InChIKeyCVBNVXMTJOVARL-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.11
Rot. Bonds5

About 4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde

4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde (PubChem CID 142393179) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde
PubChem CID142393179
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde
SMILESCNN(CC(=O)N1CCN(C=O)CC1)C1CC1
InChIInChI=1S/C11H20N4O2/c1-12-15(10-2-3-10)8-11(17)14-6-4-13(9-16)5-7-14/h9-10,12H,2-8H2,1H3
InChIKeyCVBNVXMTJOVARL-UHFFFAOYSA-N
XLogP-1.11
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113159226
4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108942693
4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde
CID 108993560
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
CID 110850251
methyl N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112991841
4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde
CID 108995940
4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108944496
4-(4-hydroxypentanoyl)piperazine-1-carbaldehyde
CID 82113570
4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde
CID 113003741
1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea
CID 112991840
4-[2-(thian-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110850174
2-[[2-(4-formylpiperazin-1-yl)-2-oxoethyl]amino]-2-methyl-N-(methylaminomethyl)propanamide
CID 130281989

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde (CID 142393179) is 4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde is CNN(CC(=O)N1CCN(C=O)CC1)C1CC1.
What is the InChIKey of 4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde?
The InChIKey is CVBNVXMTJOVARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-12-15(10-2-3-10)8-11(17)14-6-4-13(9-16)5-7-14/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde?
4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde has a molecular weight of 240.31 g/mol, XLogP of -1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 142393179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).