6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide

C16H16ClN5O2 — CID 133335007

IUPAC6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H16ClN5O2/c17-12-3-1-2-11(8-12)16(24)22-6-4-21(5-7-22)14-10-19-9-13(20-14)15(18)23/h1-3,8-10H,4-7H2,(H2,18,23)
InChIKeyARAAPHBNGILOPQ-UHFFFAOYSA-N
MW345.79 g/mol
LogP1.19
Rot. Bonds3

About 6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide

6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 133335007) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide
PubChem CID133335007
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H16ClN5O2/c17-12-3-1-2-11(8-12)16(24)22-6-4-21(5-7-22)14-10-19-9-13(20-14)15(18)23/h1-3,8-10H,4-7H2,(H2,18,23)
InChIKeyARAAPHBNGILOPQ-UHFFFAOYSA-N
XLogP1.19
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358244
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473262
(3-chlorophenyl)-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108759795
(3-chlorophenyl)-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473337
(3-chlorophenyl)-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 133329963
(3-chlorophenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802457
[4-(3-chlorophenyl)piperazin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 110854505
(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328030
(3-chlorophenyl)-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 30510743
6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 71976874
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide (CID 133335007) is 6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide is NC(=O)c1cncc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide?
The InChIKey is ARAAPHBNGILOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c17-12-3-1-2-11(8-12)16(24)22-6-4-21(5-7-22)14-10-19-9-13(20-14)15(18)23/h1-3,8-10H,4-7H2,(H2,18,23).
What are the key properties of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide?
6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 133335007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).