2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide

C12H24N4O — CID 63896375

IUPAC2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
SMILESCN1CCN(C)C(CNC(=O)CNC2CC2)C1
InChIInChI=1S/C12H24N4O/c1-15-5-6-16(2)11(9-15)7-14-12(17)8-13-10-3-4-10/h10-11,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyGVTBJUNPHAYMCJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.90
Rot. Bonds5

About 2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide

2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide (PubChem CID 63896375) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
PubChem CID63896375
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
SMILESCN1CCN(C)C(CNC(=O)CNC2CC2)C1
InChIInChI=1S/C12H24N4O/c1-15-5-6-16(2)11(9-15)7-14-12(17)8-13-10-3-4-10/h10-11,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyGVTBJUNPHAYMCJ-UHFFFAOYSA-N
XLogP-0.90
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide
CID 63896562
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
CID 63897450
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
2-(cyclopropylamino)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
CID 54898471
5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide
CID 107910113
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide;trihydrochloride
CID 119903262
6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide
CID 63898805
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 63897115
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627592
3-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]prop-2-ynamide
CID 131133952

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide (CID 63896375) is 2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide is CN1CCN(C)C(CNC(=O)CNC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
The InChIKey is GVTBJUNPHAYMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-15-5-6-16(2)11(9-15)7-14-12(17)8-13-10-3-4-10/h10-11,13H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide?
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide has a molecular weight of 240.35 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide is sourced from PubChem (CID 63896375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).