2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide

C13H23N5O — CID 120870905

IUPAC2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C13H23N5O/c1-3-4-15-12(19)10-18-8-5-14-9-11(18)13-16-6-7-17(13)2/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,15,19)
InChIKeyVNANSBZNKJRPNQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.11
Rot. Bonds5

About 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide (PubChem CID 120870905) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
PubChem CID120870905
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C13H23N5O/c1-3-4-15-12(19)10-18-8-5-14-9-11(18)13-16-6-7-17(13)2/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,15,19)
InChIKeyVNANSBZNKJRPNQ-UHFFFAOYSA-N
XLogP-0.11
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 120869804
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-[2-(2,3-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870091
N-[(4-methoxyphenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871315
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 120870543
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870299
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870144
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(5-bromo-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869936

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide (CID 120870905) is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCNCC1c1nccn1C.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is VNANSBZNKJRPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-4-15-12(19)10-18-8-5-14-9-11(18)13-16-6-7-17(13)2/h6-7,11,14H,3-5,8-10H2,1-2H3,(H,15,19).
What are the key properties of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide?
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 265.36 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 120870905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).