2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide

C16H18ClN5O — CID 133490606

IUPAC2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(c2ncncc2Cl)CC1)Nc1ccccc1
InChIInChI=1S/C16H18ClN5O/c17-14-10-18-12-19-16(14)22-8-6-21(7-9-22)11-15(23)20-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,20,23)
InChIKeyQUKYAFRDGPKULA-UHFFFAOYSA-N
MW331.81 g/mol
LogP1.89
Rot. Bonds4

About 2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide

2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 133490606) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide
PubChem CID133490606
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(c2ncncc2Cl)CC1)Nc1ccccc1
InChIInChI=1S/C16H18ClN5O/c17-14-10-18-12-19-16(14)22-8-6-21(7-9-22)11-15(23)20-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,20,23)
InChIKeyQUKYAFRDGPKULA-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide
CID 133370977
3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43397416
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845
N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167877
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91842692
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide
CID 51333103
N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 34432596
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide (CID 133490606) is 2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(c2ncncc2Cl)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is QUKYAFRDGPKULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c17-14-10-18-12-19-16(14)22-8-6-21(7-9-22)11-15(23)20-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,20,23).
What are the key properties of 2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 331.81 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 133490606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).