4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide

C13H21N5O — CID 90533539

IUPAC4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C13H21N5O/c1-2-3-15-13(19)18-10-8-16(9-11-18)6-7-17-5-4-14-12-17/h2,4-5,12H,1,3,6-11H2,(H,15,19)
InChIKeyVBHQHZXPHPYKNR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.40
Rot. Bonds5

About 4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide

4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 90533539) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID90533539
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C13H21N5O/c1-2-3-15-13(19)18-10-8-16(9-11-18)6-7-17-5-4-14-12-17/h2,4-5,12H,1,3,6-11H2,(H,15,19)
InChIKeyVBHQHZXPHPYKNR-UHFFFAOYSA-N
XLogP0.40
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90533532
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 71788571
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 90533365
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 90533226
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
4-[2-(4-methoxyphenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 51096013
(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533244
N-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-4-(2-imidazol-1-ylethyl)piperazine-1-carboxamide
CID 171093247
(4-butylcyclohexyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533216
(3,4-difluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788576
N-prop-2-enyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113103670

Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide (CID 90533539) is 4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of 4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is VBHQHZXPHPYKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-3-15-13(19)18-10-8-16(9-11-18)6-7-17-5-4-14-12-17/h2,4-5,12H,1,3,6-11H2,(H,15,19).
What are the key properties of 4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide?
4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 90533539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).