N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide

C10H20N4O2 — CID 754393

IUPACN-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide
SMILESCC(=O)NCN1CCN(CNC(C)=O)CC1
InChIInChI=1S/C10H20N4O2/c1-9(15)11-7-13-3-5-14(6-4-13)8-12-10(2)16/h3-8H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyFTOIQETWKTXAHC-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.21
Rot. Bonds4

About N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide

N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide (PubChem CID 754393) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide
PubChem CID754393
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide
SMILESCC(=O)NCN1CCN(CNC(C)=O)CC1
InChIInChI=1S/C10H20N4O2/c1-9(15)11-7-13-3-5-14(6-4-13)8-12-10(2)16/h3-8H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyFTOIQETWKTXAHC-UHFFFAOYSA-N
XLogP-1.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide?
The IUPAC name of N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide (CID 754393) is N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide?
The canonical SMILES for N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide is CC(=O)NCN1CCN(CNC(C)=O)CC1.
What is the InChIKey of N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide?
The InChIKey is FTOIQETWKTXAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-9(15)11-7-13-3-5-14(6-4-13)8-12-10(2)16/h3-8H2,1-2H3,(H,11,15)(H,12,16).
What are the key properties of N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide?
N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide has a molecular weight of 228.30 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(acetamidomethyl)piperazin-1-yl]methyl]acetamide is sourced from PubChem (CID 754393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).