N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide

C12H24N4O — CID 54927931

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide
SMILESCN1CCC(CNC(=O)CN2CCNCC2)C1
InChIInChI=1S/C12H24N4O/c1-15-5-2-11(9-15)8-14-12(17)10-16-6-3-13-4-7-16/h11,13H,2-10H2,1H3,(H,14,17)
InChIKeyGBBUMHZZXVFHJJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP-1.04
Rot. Bonds4

About N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide

N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide (PubChem CID 54927931) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide
PubChem CID54927931
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide
SMILESCN1CCC(CNC(=O)CN2CCNCC2)C1
InChIInChI=1S/C12H24N4O/c1-15-5-2-11(9-15)8-14-12(17)10-16-6-3-13-4-7-16/h11,13H,2-10H2,1H3,(H,14,17)
InChIKeyGBBUMHZZXVFHJJ-UHFFFAOYSA-N
XLogP-1.04
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
CID 60855593
ethane;molecular hydrogen;2-piperazin-1-yl-N-(piperidin-4-ylmethyl)acetamide
CID 177321914
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
2-(1,4-diazepan-1-yl)-N-(oxan-4-ylmethyl)acetamide
CID 55228378
4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide
CID 95212961
N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
4-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525940
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63006550

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide (CID 54927931) is N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide is CN1CCC(CNC(=O)CN2CCNCC2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide?
The InChIKey is GBBUMHZZXVFHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-15-5-2-11(9-15)8-14-12(17)10-16-6-3-13-4-7-16/h11,13H,2-10H2,1H3,(H,14,17).
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide has a molecular weight of 240.35 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 54927931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).