N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide

C15H18ClN3O — CID 47109715

IUPACN-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
SMILESC#CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClN3O/c1-2-7-18-8-10-19(11-9-18)12-15(20)17-14-6-4-3-5-13(14)16/h1,3-6H,7-12H2,(H,17,20)
InChIKeyKJZIKCLQAFNURZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP1.53
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide

N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide (PubChem CID 47109715) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
PubChem CID47109715
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
SMILESC#CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClN3O/c1-2-7-18-8-10-19(11-9-18)12-15(20)17-14-6-4-3-5-13(14)16/h1,3-6H,7-12H2,(H,17,20)
InChIKeyKJZIKCLQAFNURZ-UHFFFAOYSA-N
XLogP1.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 78795478
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558
N-(2-chlorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8800016
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
N-(2-chlorophenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide
CID 34708396
N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide (CID 47109715) is N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide is C#CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide?
The InChIKey is KJZIKCLQAFNURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-7-18-8-10-19(11-9-18)12-15(20)17-14-6-4-3-5-13(14)16/h1,3-6H,7-12H2,(H,17,20).
What are the key properties of N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide?
N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide has a molecular weight of 291.78 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide is sourced from PubChem (CID 47109715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).