N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide

C14H25N5O — CID 77085402

IUPACN-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(Cc2cncn2C(C)C)CC1
InChIInChI=1S/C14H25N5O/c1-12(2)19-11-16-8-13(19)9-17-4-6-18(7-5-17)10-14(20)15-3/h8,11-12H,4-7,9-10H2,1-3H3,(H,15,20)
InChIKeyJOTGSMLMOILSDD-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.33
Rot. Bonds5

About N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide

N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 77085402) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID77085402
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(Cc2cncn2C(C)C)CC1
InChIInChI=1S/C14H25N5O/c1-12(2)19-11-16-8-13(19)9-17-4-6-18(7-5-17)10-14(20)15-3/h8,11-12H,4-7,9-10H2,1-3H3,(H,15,20)
InChIKeyJOTGSMLMOILSDD-UHFFFAOYSA-N
XLogP0.33
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide (CID 77085402) is N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide is CNC(=O)CN1CCN(Cc2cncn2C(C)C)CC1.
What is the InChIKey of N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is JOTGSMLMOILSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-12(2)19-11-16-8-13(19)9-17-4-6-18(7-5-17)10-14(20)15-3/h8,11-12H,4-7,9-10H2,1-3H3,(H,15,20).
What are the key properties of N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide?
N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 77085402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).