N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide

C13H23N5O — CID 115741079

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCc1ncc[nH]1)N1CCNCC1
InChIInChI=1S/C13H23N5O/c1-13(2,18-9-7-14-8-10-18)12(19)17-4-3-11-15-5-6-16-11/h5-6,14H,3-4,7-10H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyVIFMJMYEFVRUEQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.25
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide

N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 115741079) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID115741079
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCCc1ncc[nH]1)N1CCNCC1
InChIInChI=1S/C13H23N5O/c1-13(2,18-9-7-14-8-10-18)12(19)17-4-3-11-15-5-6-16-11/h5-6,14H,3-4,7-10H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyVIFMJMYEFVRUEQ-UHFFFAOYSA-N
XLogP-0.25
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide (CID 115741079) is N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide is CC(C)(C(=O)NCCc1ncc[nH]1)N1CCNCC1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is VIFMJMYEFVRUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(2,18-9-7-14-8-10-18)12(19)17-4-3-11-15-5-6-16-11/h5-6,14H,3-4,7-10H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 115741079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).