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

C16H18ClN5O — CID 133358244

IUPAC6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCN(Cc3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H18ClN5O/c17-13-3-1-2-12(8-13)11-21-4-6-22(7-5-21)15-10-19-9-14(20-15)16(18)23/h1-3,8-10H,4-7,11H2,(H2,18,23)
InChIKeyWXKZVYOKIDOOMK-UHFFFAOYSA-N
MW331.81 g/mol
LogP1.55
Rot. Bonds4

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

6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 133358244) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
PubChem CID133358244
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCN(Cc3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H18ClN5O/c17-13-3-1-2-12(8-13)11-21-4-6-22(7-5-21)15-10-19-9-14(20-15)16(18)23/h1-3,8-10H,4-7,11H2,(H2,18,23)
InChIKeyWXKZVYOKIDOOMK-UHFFFAOYSA-N
XLogP1.55
TPSA75.35 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358229
6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56723039
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122052717
6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 133335007
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890
6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 173077858
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56702748
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole
CID 171678776
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]benzoic acid
CID 122028627

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide (CID 133358244) is 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide is NC(=O)c1cncc(N2CCN(Cc3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide?
The InChIKey is WXKZVYOKIDOOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c17-13-3-1-2-12(8-13)11-21-4-6-22(7-5-21)15-10-19-9-14(20-15)16(18)23/h1-3,8-10H,4-7,11H2,(H2,18,23).
What are the key properties of 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide?
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 331.81 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 133358244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).