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

C17H20ClN5O — CID 71976874

IUPAC6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESCC(c1ccccc1Cl)N1CCN(c2cncc(C(N)=O)n2)CC1
InChIInChI=1S/C17H20ClN5O/c1-12(13-4-2-3-5-14(13)18)22-6-8-23(9-7-22)16-11-20-10-15(21-16)17(19)24/h2-5,10-12H,6-9H2,1H3,(H2,19,24)
InChIKeyQCBCHZUFPUZUGZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.11
Rot. Bonds4

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

6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 71976874) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
PubChem CID71976874
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
SMILESCC(c1ccccc1Cl)N1CCN(c2cncc(C(N)=O)n2)CC1
InChIInChI=1S/C17H20ClN5O/c1-12(13-4-2-3-5-14(13)18)22-6-8-23(9-7-22)16-11-20-10-15(21-16)17(19)24/h2-5,10-12H,6-9H2,1H3,(H2,19,24)
InChIKeyQCBCHZUFPUZUGZ-UHFFFAOYSA-N
XLogP2.11
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122052880
6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133476331
6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358229
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
CID 133391003
6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 133335007
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]phenol
CID 8528818
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358244
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
6-[4-(phenylcarbamoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 133358652
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56702748
6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56723039

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide (CID 71976874) is 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide is CC(c1ccccc1Cl)N1CCN(c2cncc(C(N)=O)n2)CC1.
What is the InChIKey of 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide?
The InChIKey is QCBCHZUFPUZUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-12(13-4-2-3-5-14(13)18)22-6-8-23(9-7-22)16-11-20-10-15(21-16)17(19)24/h2-5,10-12H,6-9H2,1H3,(H2,19,24).
What are the key properties of 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide?
6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71976874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).