N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

C16H18ClN5O — CID 18167877

IUPACN-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2cnccn2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClN5O/c17-13-3-1-2-4-14(13)20-16(23)12-21-7-9-22(10-8-21)15-11-18-5-6-19-15/h1-6,11H,7-10,12H2,(H,20,23)
InChIKeyNVJOGFIPYHASBB-UHFFFAOYSA-N
MW331.81 g/mol
LogP1.89
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (PubChem CID 18167877) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
PubChem CID18167877
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC NameN-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2cnccn2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClN5O/c17-13-3-1-2-4-14(13)20-16(23)12-21-7-9-22(10-8-21)15-11-18-5-6-19-15/h1-6,11H,7-10,12H2,(H,20,23)
InChIKeyNVJOGFIPYHASBB-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

N-(5-chloro-2-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146893
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-(3-chloro-4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146818
N-(5-fluoro-2-methylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167910
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 31536358
N-(2-fluorophenyl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 33413945
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146820
N-(3-methoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167873
N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
CID 47109715

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (CID 18167877) is N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2cnccn2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is NVJOGFIPYHASBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c17-13-3-1-2-4-14(13)20-16(23)12-21-7-9-22(10-8-21)15-11-18-5-6-19-15/h1-6,11H,7-10,12H2,(H,20,23).
What are the key properties of N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide 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 N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 18167877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).