4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide

C13H21N5O2 — CID 47253569

IUPAC4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NC(C)Cn2ccnc2)CC1
InChIInChI=1S/C13H21N5O2/c1-11(9-16-4-3-14-10-16)15-13(20)18-7-5-17(6-8-18)12(2)19/h3-4,10-11H,5-9H2,1-2H3,(H,15,20)
InChIKeyYNFMBZWDFZTRLI-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.15
Rot. Bonds3

About 4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide

4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide (PubChem CID 47253569) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide
PubChem CID47253569
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NC(C)Cn2ccnc2)CC1
InChIInChI=1S/C13H21N5O2/c1-11(9-16-4-3-14-10-16)15-13(20)18-7-5-17(6-8-18)12(2)19/h3-4,10-11H,5-9H2,1-2H3,(H,15,20)
InChIKeyYNFMBZWDFZTRLI-UHFFFAOYSA-N
XLogP0.15
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide (CID 47253569) is 4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)NC(C)Cn2ccnc2)CC1.
What is the InChIKey of 4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide?
The InChIKey is YNFMBZWDFZTRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-11(9-16-4-3-14-10-16)15-13(20)18-7-5-17(6-8-18)12(2)19/h3-4,10-11H,5-9H2,1-2H3,(H,15,20).
What are the key properties of 4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide?
4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-imidazol-1-ylpropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47253569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).