N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide

C11H22N4O2 — CID 102737013

IUPACN-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CCC(=O)NN)CC1
InChIInChI=1S/C11H22N4O2/c1-9(16)13-8-10-2-5-15(6-3-10)7-4-11(17)14-12/h10H,2-8,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyOIRTZKBEOGZLQH-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.79
Rot. Bonds5

About N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide

N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102737013) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide
PubChem CID102737013
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CCC(=O)NN)CC1
InChIInChI=1S/C11H22N4O2/c1-9(16)13-8-10-2-5-15(6-3-10)7-4-11(17)14-12/h10H,2-8,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyOIRTZKBEOGZLQH-UHFFFAOYSA-N
XLogP-0.79
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
3-(4-aminopiperidin-1-yl)propanehydrazide
CID 63577535
N-[[1-(5-oxohexyl)piperidin-4-yl]methyl]acetamide
CID 102736688
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
N-[[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]methyl]acetamide
CID 102736385
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide
CID 112629319
5-(4-ethylpiperidin-1-yl)pentanehydrazide
CID 63578403
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
3-(4,4-dimethylpiperidin-1-yl)propanehydrazide
CID 63573423
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide (CID 102737013) is N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(CCC(=O)NN)CC1.
What is the InChIKey of N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is OIRTZKBEOGZLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9(16)13-8-10-2-5-15(6-3-10)7-4-11(17)14-12/h10H,2-8,12H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 242.32 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-hydrazinyl-3-oxopropyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102737013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).