2-piperazin-1-yl-N-prop-2-enylbenzamide

C14H19N3O — CID 35752648

IUPAC2-piperazin-1-yl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1N1CCNCC1
InChIInChI=1S/C14H19N3O/c1-2-7-16-14(18)12-5-3-4-6-13(12)17-10-8-15-9-11-17/h2-6,15H,1,7-11H2,(H,16,18)
InChIKeyNRSQHDBUAXORDL-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.01
Rot. Bonds4

About 2-piperazin-1-yl-N-prop-2-enylbenzamide

2-piperazin-1-yl-N-prop-2-enylbenzamide (PubChem CID 35752648) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-prop-2-enylbenzamide
PubChem CID35752648
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-piperazin-1-yl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1N1CCNCC1
InChIInChI=1S/C14H19N3O/c1-2-7-16-14(18)12-5-3-4-6-13(12)17-10-8-15-9-11-17/h2-6,15H,1,7-11H2,(H,16,18)
InChIKeyNRSQHDBUAXORDL-UHFFFAOYSA-N
XLogP1.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-piperazin-1-yl-N-prop-2-enylbenzamide
CID 28749260
N-pentyl-2-piperazin-1-ylbenzamide
CID 35752714
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037750
N-[1-[2-(prop-2-enylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156126
N-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566
2-piperazin-1-ylbenzoyl bromide
CID 141087423
2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037766
N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 42848173
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
N-(2,2-dimethylpent-4-enyl)-N-methyl-2-piperazin-1-ylbenzamide
CID 145429033
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-prop-2-enylbenzamide?
The IUPAC name of 2-piperazin-1-yl-N-prop-2-enylbenzamide (CID 35752648) is 2-piperazin-1-yl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-piperazin-1-yl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-piperazin-1-yl-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N-prop-2-enylbenzamide?
The InChIKey is NRSQHDBUAXORDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-7-16-14(18)12-5-3-4-6-13(12)17-10-8-15-9-11-17/h2-6,15H,1,7-11H2,(H,16,18).
What are the key properties of 2-piperazin-1-yl-N-prop-2-enylbenzamide?
2-piperazin-1-yl-N-prop-2-enylbenzamide has a molecular weight of 245.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-prop-2-enylbenzamide is sourced from PubChem (CID 35752648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).